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

Systemtic Name: N-butyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-benzamide Openeye Name: N-butyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-benzamide CAS Name: N-butyl-N-[[1-[(2-chlorophenyl)methyl]-2-pyrrolyl]methyl]-3-nitrobenzamide IUPAC Name: N-butyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-nitrobenzamide Traditional Name: N-butyl-N-[[1-(2-chlorobenzyl)pyrrol-2-yl]methyl]-3-nitro-benzamide Formula: C23H24ClN3O3 MolecularWeight: 425.90796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=CC=C2Cl)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=CC=C2Cl)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H24ClN3O3/c1-2-3-13-26(23(28)18-9-6-10-20(15-18)27(29)30)17-21-11-7-14-25(21)16-19-8-4-5-12-22(19)24/h4-12,14-15H,2-3,13,16-17H2,1H3