N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-3-nitro-benzamide

Systemtic Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-3-nitro-benzamide Openeye Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-3-nitro-benzamide CAS Name: N-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl]-N-butyl-3-nitrobenzamide IUPAC Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-3-nitrobenzamide Traditional Name: N-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl]-N-butyl-3-nitro-benzamide Formula: C23H24BrN3O3 MolecularWeight: 470.35896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24BrN3O3/c1-2-3-13-26(23(28)19-6-4-7-21(15-19)27(29)30)17-22-8-5-14-25(22)16-18-9-11-20(24)12-10-18/h4-12,14-15H,2-3,13,16-17H2,1H3