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

Systemtic Name: N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-3-nitro-benzamide Openeye Name: N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-3-nitro-benzamide CAS Name: N-butyl-N-[[1-[(3-methoxyphenyl)methyl]-2-pyrrolyl]methyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-3-nitrobenzamide Traditional Name: N-butyl-N-[(1-m-anisylpyrrol-2-yl)methyl]-4-methyl-3-nitro-benzamide Formula: C25H29N3O4 MolecularWeight: 435.51546

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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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O4/c1-4-5-13-27(25(29)21-12-11-19(2)24(16-21)28(30)31)18-22-9-7-14-26(22)17-20-8-6-10-23(15-20)32-3/h6-12,14-16H,4-5,13,17-18H2,1-3H3