[Synonyms]
[Structure]
![(E)-4-oxo-4-[2-(4-phenylbenzoyl)hydrazinyl]but-2-enoate,Canonical SMI](/file/upload/dataimg/228/2276292.png)
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: (E)-4-oxo-4-[2-(4-phenylbenzoyl)hydrazinyl]but-2-enoate
Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NNC(=O)C=CC(=O)[O-]
Isomeric SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NNC(=O)\C=C\C(=O)[O-]
InChI: InChI=1/C17H14N2O4/c20-15(10-11-16(21)22)18-19-17(23)14-8-6-13(7-9-14)
12-4-2-1-3-5-12/h1-11H,(H,18,20)(H,19,23)(H,21,
22)/p-1/b11-10+/fC17H13N2O4/h18-19H/q-1
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 309.29612 [g/mol] |
| Molecular Formula | C17H13N2O4- |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 4 |
| Rotatable Bond Count | 3 |
| Tautomer Count | 5 |
| Exact Mass | 309.087532 |
| MonoIsotopic Mass | 309.087532 |
| Topological Polar Surface Area | 98.3 |
| Heavy Atom Count | 23 |
| Formal Charge | -1 |
| Complexity | 456 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 0 |
| Undefined Atom StereoCenter Count | 0 |
| Defined Bond StereoCenter Count | 1 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: (E)-4-oxo-4-[2-(4-phenylbenzoyl)hydrazinyl]but-2-enoate
Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NNC(=O)C=CC(=O)[O-]
Isomeric SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NNC(=O)\C=C\C(=O)[O-]
InChI: InChI=1/C17H14N2O4/c20-15(10-11-16(21)22)18-19-17(23)14-8-6-13(7-9-14)
12-4-2-1-3-5-12/h1-11H,(H,18,20)(H,19,23)(H,21,
22)/p-1/b11-10+/fC17H13N2O4/h18-19H/q-1
