2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-(2-methyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-(2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-methyl-4-nitro-phenyl)acetamide Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

InChI

InChI=1S/C20H19N3O4/c1-13-11-16(23(26)27)7-8-18(13)21-20(25)12-19-17-6-4-3-5-15(17)9-10-22(19)14(2)24/h3-11,19H,12H2,1-2H3,(H,21,25)