N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-N-propan-2-yl-benzamide

Systemtic Name: N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-N-propan-2-yl-benzamide Openeye Name: N-isopropyl-N-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-3-nitro-benzamide CAS Name: N-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-nitro-N-propan-2-ylbenzamide IUPAC Name: N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-N-propan-2-ylbenzamide Traditional Name: N-isopropyl-N-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]-3-nitro-benzamide Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=CC=C2CN(C(C)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=CC=C2CN(C(C)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O3/c1-17(2)25(23(27)20-9-5-10-21(14-20)26(28)29)16-22-11-6-12-24(22)15-19-8-4-7-18(3)13-19/h4-14,17H,15-16H2,1-3H3