2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-(4-ethyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-(4-ethyl-3-nitro-phenyl)ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(4-ethyl-3-nitro-phenyl)acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(4-ethyl-3-nitrophenyl)acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(4-ethyl-3-nitrophenyl)acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(4-ethyl-3-nitro-phenyl)acetamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c1-3-15-8-9-17(12-19(15)24(27)28)22-21(26)13-20-18-7-5-4-6-16(18)10-11-23(20)14(2)25/h4-12,20H,3,13H2,1-2H3,(H,22,26)