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

Systemtic Name: N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-benzamide Openeye Name: N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-benzamide CAS Name: N-butyl-N-[[1-[(3-methoxyphenyl)methyl]-2-pyrrolyl]methyl]-3-nitrobenzamide IUPAC Name: N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-3-nitrobenzamide Traditional Name: N-butyl-N-[(1-m-anisylpyrrol-2-yl)methyl]-3-nitro-benzamide Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4/c1-3-4-13-26(24(28)20-9-6-10-21(16-20)27(29)30)18-22-11-7-14-25(22)17-19-8-5-12-23(15-19)31-2/h5-12,14-16H,3-4,13,17-18H2,1-2H3