(4-aminocarbonyl-2-nitro-phenyl)methyl 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 2-(2-acetyl-1H-isoquinolin-1-yl)acetate CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 2-(2-acetyl-1H-isoquinolin-1-yl)acetate Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6/c1-13(25)23-9-8-14-4-2-3-5-17(14)19(23)11-20(26)30-12-16-7-6-15(21(22)27)10-18(16)24(28)29/h2-10,19H,11-12H2,1H3,(H2,22,27)