2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-[2-[(4-nitrophenyl)amino]ethyl]ethanamide

Systemtic Name: 2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-[2-[(4-nitrophenyl)amino]ethyl]ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-(4-nitroanilino)ethyl]acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-(4-nitroanilino)ethyl]acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-(4-nitroanilino)ethyl]acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-(4-nitroanilino)ethyl]acetamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-15(26)24-13-10-16-4-2-3-5-19(16)20(24)14-21(27)23-12-11-22-17-6-8-18(9-7-17)25(28)29/h2-10,13,20,22H,11-12,14H2,1H3,(H,23,27)