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

Systemtic Name: (6Z)-6-[[(1-butylbenzimidazol-2-yl)amino]methylidene]-4-methyl-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[[(1-butylbenzimidazol-2-yl)amino]methylene]-4-methyl-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[[(1-butyl-2-benzimidazolyl)amino]methylidene]-4-methyl-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[[(1-butylbenzimidazol-2-yl)amino]methylidene]-4-methyl-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[[(1-butylbenzimidazol-2-yl)amino]methylene]-4-methyl-2-nitro-cyclohexa-2,4-dien-1-one Formula: C19H20N4O3 MolecularWeight: 352.3871

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C1NC=C3C=C(C=C(C3=O)[N+](=O)[O-])C

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C1N/C=C\3/C=C(C=C(C3=O)[N+](=O)[O-])C

InChI

InChI=1S/C19H20N4O3/c1-3-4-9-22-16-8-6-5-7-15(16)21-19(22)20-12-14-10-13(2)11-17(18(14)24)23(25)26/h5-8,10-12H,3-4,9H2,1-2H3,(H,20,21)/b14-12-