5-[[5-nitro-6-oxidanylidene-3-(phenylmethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]-1,3-dihydrobenzimidazol-2-one

Systemtic Name: 5-[[5-nitro-6-oxidanylidene-3-(phenylmethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]-1,3-dihydrobenzimidazol-2-one Openeye Name: 5-[(3-benzyl-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-dihydrobenzimidazol-2-one CAS Name: 5-[[5-nitro-6-oxo-3-(phenylmethyl)-1-cyclohexa-2,4-dienylidene]methylamino]-1,3-dihydrobenzimidazol-2-one IUPAC Name: 5-[(3-benzyl-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-dihydrobenzimidazol-2-one Traditional Name: 5-[(3-benzyl-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-dihydrobenzimidazol-2-one Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=CNC3=CC4=C(C=C3)NC(=O)N4)C(=O)C(=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=CNC3=CC4=C(C=C3)NC(=O)N4)C(=O)C(=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4/c26-20-15(12-22-16-6-7-17-18(11-16)24-21(27)23-17)9-14(10-19(20)25(28)29)8-13-4-2-1-3-5-13/h1-7,9-12,22H,8H2,(H2,23,24,27)