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

Systemtic Name: 6-[[(1-butylbenzimidazol-2-yl)amino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(1-butylbenzimidazol-2-yl)amino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[(1-butyl-2-benzimidazolyl)amino]methylidene]-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(1-butylbenzimidazol-2-yl)amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[(1-butylbenzimidazol-2-yl)amino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3/c1-2-3-11-21-15-9-5-4-8-14(15)20-18(21)19-12-13-7-6-10-16(17(13)23)22(24)25/h4-10,12H,2-3,11H2,1H3,(H,19,20)