[2-[2-(diphenylmethylidene)hydrazinyl]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[2-(diphenylmethylidene)hydrazinyl]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-(2-benzhydrylidenehydrazino)-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[2-(diphenylmethylene)hydrazinyl]-2-oxoethyl] ester IUPAC Name: [2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-(N'-benzhydrylidenehydrazino)-2-keto-ethyl] ester Formula: C22H18N4O5 MolecularWeight: 418.40212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=NNC(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=NNC(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H18N4O5/c23-18-12-11-17(13-19(18)26(29)30)22(28)31-14-20(27)24-25-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,14,23H2,(H,24,27)