3-[(4-cyanophenyl)carbonyl-methyl-amino]-N-(2,6-dimethyl-4-propan-2-yl-phenyl)-2-nitro-benzamide

Systemtic Name: 3-[(4-cyanophenyl)carbonyl-methyl-amino]-N-(2,6-dimethyl-4-propan-2-yl-phenyl)-2-nitro-benzamide Openeye Name: 3-[(4-cyanobenzoyl)-methyl-amino]-N-(4-isopropyl-2,6-dimethyl-phenyl)-2-nitro-benzamide CAS Name: 3-[[(4-cyanophenyl)-oxomethyl]-methylamino]-N-(2,6-dimethyl-4-propan-2-ylphenyl)-2-nitrobenzamide IUPAC Name: 3-[(4-cyanobenzoyl)-methylamino]-N-(2,6-dimethyl-4-propan-2-ylphenyl)-2-nitrobenzamide Traditional Name: 3-[(4-cyanobenzoyl)-methyl-amino]-N-(4-isopropyl-2,6-dimethyl-phenyl)-2-nitro-benzamide Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C2=C(C(=CC=C2)N(C)C(=O)C3=CC=C(C=C3)C#N)[N+](=O)[O-])C)C(C)C

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)C2=C(C(=CC=C2)N(C)C(=O)C3=CC=C(C=C3)C#N)[N+](=O)[O-])C)C(C)C

InChI

InChI=1S/C27H26N4O4/c1-16(2)21-13-17(3)24(18(4)14-21)29-26(32)22-7-6-8-23(25(22)31(34)35)30(5)27(33)20-11-9-19(15-28)10-12-20/h6-14,16H,1-5H3,(H,29,32)