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

Systemtic Name: 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-N-[2-[(2-nitrophenyl)amino]ethyl]ethanamide Openeye Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(2-nitroanilino)ethyl]acetamide CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(2-nitroanilino)ethyl]acetamide IUPAC Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(2-nitroanilino)ethyl]acetamide Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(2-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=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-15(26)24-13-10-16-6-2-3-7-17(16)20(24)14-21(27)23-12-11-22-18-8-4-5-9-19(18)25(28)29/h2-10,13,20,22H,11-12,14H2,1H3,(H,23,27)/t20-/m0/s1