6-[[[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]amino]methylidene]-2-nitro-4-(phenylmethyl)cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]amino]methylidene]-2-nitro-4-(phenylmethyl)cyclohexa-2,4-dien-1-one Openeye Name: 6-[[5-(1H-benzimidazol-2-yl)-2-methyl-anilino]methylene]-4-benzyl-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[5-(1H-benzimidazol-2-yl)-2-methylanilino]methylidene]-2-nitro-4-(phenylmethyl)-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[5-(1H-benzimidazol-2-yl)-2-methylanilino]methylidene]-4-benzyl-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[5-(1H-benzimidazol-2-yl)-2-methyl-anilino]methylene]-4-benzyl-2-nitro-cyclohexa-2,4-dien-1-one Formula: C28H22N4O3 MolecularWeight: 462.49928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C28H22N4O3/c1-18-11-12-21(28-30-23-9-5-6-10-24(23)31-28)16-25(18)29-17-22-14-20(13-19-7-3-2-4-8-19)15-26(27(22)33)32(34)35/h2-12,14-17,29H,13H2,1H3,(H,30,31)