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

Systemtic Name: N-butyl-4-chloranyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-benzamide Openeye Name: N-butyl-4-chloro-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-benzamide CAS Name: N-butyl-4-chloro-N-[[1-[(3-methoxyphenyl)methyl]-2-pyrrolyl]methyl]-3-nitrobenzamide IUPAC Name: N-butyl-4-chloro-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-3-nitrobenzamide Traditional Name: N-butyl-4-chloro-N-[(1-m-anisylpyrrol-2-yl)methyl]-3-nitro-benzamide Formula: C24H26ClN3O4 MolecularWeight: 455.93394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN3O4/c1-3-4-12-27(24(29)19-10-11-22(25)23(15-19)28(30)31)17-20-8-6-13-26(20)16-18-7-5-9-21(14-18)32-2/h5-11,13-15H,3-4,12,16-17H2,1-2H3