N-butyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-benzamide

Systemtic Name: N-butyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-benzamide Openeye Name: N-butyl-N-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-3-nitro-benzamide CAS Name: N-butyl-N-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-nitrobenzamide IUPAC Name: N-butyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitrobenzamide Traditional Name: N-butyl-N-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]-3-nitro-benzamide Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O3/c1-3-4-13-26(24(28)21-10-6-11-22(16-21)27(29)30)18-23-12-7-14-25(23)17-20-9-5-8-19(2)15-20/h5-12,14-16H,3-4,13,17-18H2,1-2H3