[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]phenyl] 4-nitrobenzoate

Systemtic Name: [2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]phenyl] 4-nitrobenzoate Openeye Name: [2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenyl] ester Formula: C23H15N3O6 MolecularWeight: 429.3817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CC=C3OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CC=C3OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N2

InChI

InChI=1S/C23H15N3O6/c27-21-19(22(28)25(24-21)17-7-2-1-3-8-17)14-16-6-4-5-9-20(16)32-23(29)15-10-12-18(13-11-15)26(30)31/h1-14H,(H,24,27)