(6E)-6-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)-4-nonanoyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)-4-nonanoyl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)-4-nonanoyl-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)-4-(1-oxononyl)-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)-4-nonanoylcyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)-4-pelargonyl-cyclohexa-2,4-dien-1-one Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)C1=CC(=C2NC3=C(N2)C=C(C=C3)[N+](=O)[O-])C(=O)C=C1

Isomeric SMILES

CCCCCCCCC(=O)C1=C/C(=C\2/NC3=C(N2)C=C(C=C3)[N+](=O)[O-])/C(=O)C=C1

InChI

InChI=1S/C22H25N3O4/c1-2-3-4-5-6-7-8-20(26)15-9-12-21(27)17(13-15)22-23-18-11-10-16(25(28)29)14-19(18)24-22/h9-14,23-24H,2-8H2,1H3/b22-17+