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

Systemtic Name: (6E)-6-[[[4-(6-azanyl-1H-benzimidazol-2-yl)phenyl]amino]methylidene]-2-bromanyl-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[[4-(6-amino-1H-benzimidazol-2-yl)anilino]methylene]-2-bromo-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[[4-(6-amino-1H-benzimidazol-2-yl)anilino]methylidene]-2-bromo-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[[4-(6-amino-1H-benzimidazol-2-yl)anilino]methylidene]-2-bromo-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[[4-(6-amino-1H-benzimidazol-2-yl)anilino]methylene]-2-bromo-4-nitro-cyclohexa-2,4-dien-1-one Formula: C20H14BrN5O3 MolecularWeight: 452.26086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)N)NC=C4C=C(C=C(C4=O)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)N)N/C=C/4\C=C(C=C(C4=O)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H14BrN5O3/c21-16-9-15(26(28)29)7-12(19(16)27)10-23-14-4-1-11(2-5-14)20-24-17-6-3-13(22)8-18(17)25-20/h1-10,23H,22H2,(H,24,25)/b12-10+