4-nitro-6-(3-octyl-1H-benzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: 4-nitro-6-(3-octyl-1H-benzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: 4-nitro-6-(3-octyl-1H-benzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one CAS Name: 4-nitro-6-(3-octyl-1H-benzimidazol-2-ylidene)-1-cyclohexa-2,4-dienone IUPAC Name: 4-nitro-6-(3-octyl-1H-benzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: 4-nitro-6-(3-octyl-1H-benzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=CC=CC=C2NC1=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCN1C2=CC=CC=C2NC1=C3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3/c1-2-3-4-5-6-9-14-23-19-11-8-7-10-18(19)22-21(23)17-15-16(24(26)27)12-13-20(17)25/h7-8,10-13,15,22H,2-6,9,14H2,1H3