N-(3-nitrocyclohexa-1,2,5-trien-1-yl)-4-(4-pentylphenyl)benzamide

Systemtic Name: N-(3-nitrocyclohexa-1,2,5-trien-1-yl)-4-(4-pentylphenyl)benzamide Openeye Name: N-(3-nitrocyclohexa-1,2,5-trien-1-yl)-4-(4-pentylphenyl)benzamide CAS Name: N-(3-nitro-1-cyclohexa-1,2,5-trienyl)-4-(4-pentylphenyl)benzamide IUPAC Name: N-(3-nitrocyclohexa-1,2,5-trien-1-yl)-4-(4-pentylphenyl)benzamide Traditional Name: 4-(4-amylphenyl)-N-(3-nitrocyclohexa-1,2,5-trien-1-yl)benzamide Formula: C24H24N2O3 MolecularWeight: 388.45896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=C=C(CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=C=C(CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H24N2O3/c1-2-3-4-6-18-9-11-19(12-10-18)20-13-15-21(16-14-20)24(27)25-22-7-5-8-23(17-22)26(28)29/h5,7,9-16H,2-4,6,8H2,1H3,(H,25,27)