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

Systemtic Name: (6E)-6-[[[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]amino]methylidene]-2-bromanyl-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[[5-(1H-benzimidazol-2-yl)-2-methyl-anilino]methylene]-2-bromo-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[[5-(1H-benzimidazol-2-yl)-2-methylanilino]methylidene]-2-bromo-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[[5-(1H-benzimidazol-2-yl)-2-methylanilino]methylidene]-2-bromo-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[[5-(1H-benzimidazol-2-yl)-2-methyl-anilino]methylene]-2-bromo-4-nitro-cyclohexa-2,4-dien-1-one Formula: C21H15BrN4O3 MolecularWeight: 451.2728

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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)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)N/C=C/4\C=C(C=C(C4=O)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H15BrN4O3/c1-12-6-7-13(21-24-17-4-2-3-5-18(17)25-21)9-19(12)23-11-14-8-15(26(28)29)10-16(22)20(14)27/h2-11,23H,1H3,(H,24,25)/b14-11+