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

Systemtic Name: N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-3-nitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[1-[(3-methoxyphenyl)methyl]-2-pyrrolyl]methyl]-4-methyl-3-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-3-nitrobenzamide Traditional Name: N-benzyl-N-[(1-m-anisylpyrrol-2-yl)methyl]-4-methyl-3-nitro-benzamide Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC(=CC=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC(=CC=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C28H27N3O4/c1-21-13-14-24(17-27(21)31(33)34)28(32)30(18-22-8-4-3-5-9-22)20-25-11-7-15-29(25)19-23-10-6-12-26(16-23)35-2/h3-17H,18-20H2,1-2H3