N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-(3-methylbutan-2-yl)-3-nitro-benzamide

Systemtic Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-(3-methylbutan-2-yl)-3-nitro-benzamide Openeye Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(1,2-dimethylpropyl)-4-methyl-3-nitro-benzamide CAS Name: N-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]-4-methyl-N-(3-methylbutan-2-yl)-3-nitrobenzamide IUPAC Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-(3-methylbutan-2-yl)-3-nitrobenzamide Traditional Name: N-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]-N-(1,2-dimethylpropyl)-4-methyl-3-nitro-benzamide Formula: C25H28ClN3O3 MolecularWeight: 453.96112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC2=CC=CN2CC3=CC(=CC=C3)Cl)C(C)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC2=CC=CN2CC3=CC(=CC=C3)Cl)C(C)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H28ClN3O3/c1-17(2)19(4)28(25(30)21-11-10-18(3)24(14-21)29(31)32)16-23-9-6-12-27(23)15-20-7-5-8-22(26)13-20/h5-14,17,19H,15-16H2,1-4H3