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

Systemtic Name: N-butyl-2-chloranyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-benzamide Openeye Name: N-butyl-2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-benzamide CAS Name: N-butyl-2-chloro-N-[[1-[(2-chlorophenyl)methyl]-2-pyrrolyl]methyl]-4-nitrobenzamide IUPAC Name: N-butyl-2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-nitrobenzamide Traditional Name: N-butyl-2-chloro-N-[[1-(2-chlorobenzyl)pyrrol-2-yl]methyl]-4-nitro-benzamide Formula: C23H23Cl2N3O3 MolecularWeight: 460.35302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23Cl2N3O3/c1-2-3-12-27(23(29)20-11-10-18(28(30)31)14-22(20)25)16-19-8-6-13-26(19)15-17-7-4-5-9-21(17)24/h4-11,13-14H,2-3,12,15-16H2,1H3