2-nitro-6-[[[1-(phenylmethyl)benzimidazol-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 2-nitro-6-[[[1-(phenylmethyl)benzimidazol-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(1-benzylbenzimidazol-2-yl)amino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 2-nitro-6-[[[1-(phenylmethyl)-2-benzimidazolyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(1-benzylbenzimidazol-2-yl)amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[(1-benzylbenzimidazol-2-yl)amino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2NC=C4C=CC=C(C4=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2NC=C4C=CC=C(C4=O)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O3/c26-20-16(9-6-12-19(20)25(27)28)13-22-21-23-17-10-4-5-11-18(17)24(21)14-15-7-2-1-3-8-15/h1-13H,14H2,(H,22,23)