N-butyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-benzamide

Systemtic Name: N-butyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-benzamide Openeye Name: N-butyl-4-nitro-N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]benzamide CAS Name: N-butyl-N-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-4-nitrobenzamide IUPAC Name: N-butyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-nitrobenzamide Traditional Name: N-butyl-N-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]-4-nitro-benzamide Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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