(6Z)-2-bromanyl-6-[[(1-heptylbenzimidazol-2-yl)amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-2-bromanyl-6-[[(1-heptylbenzimidazol-2-yl)amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-2-bromo-6-[[(1-heptylbenzimidazol-2-yl)amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-2-bromo-6-[[(1-heptyl-2-benzimidazolyl)amino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-2-bromo-6-[[(1-heptylbenzimidazol-2-yl)amino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6Z)-2-bromo-6-[[(1-heptylbenzimidazol-2-yl)amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C21H23BrN4O3 MolecularWeight: 459.33632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=CC=CC=C2N=C1NC=C3C=C(C=C(C3=O)Br)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCN1C2=CC=CC=C2N=C1N/C=C\3/C=C(C=C(C3=O)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H23BrN4O3/c1-2-3-4-5-8-11-25-19-10-7-6-9-18(19)24-21(25)23-14-15-12-16(26(28)29)13-17(22)20(15)27/h6-7,9-10,12-14H,2-5,8,11H2,1H3,(H,23,24)/b15-14-