methyl 2-[2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate

Systemtic Name: methyl 2-[2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate Openeye Name: methyl 2-[[2-[2-(4-nitroanilino)-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]acetate CAS Name: 2-[[2-[2-(4-nitroanilino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(4-nitroanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate Traditional Name: 2-[[1-keto-2-[2-keto-2-(4-nitroanilino)ethyl]-5-isoquinolyl]oxy]acetic acid methyl ester Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O7/c1-29-19(25)12-30-17-4-2-3-16-15(17)9-10-22(20(16)26)11-18(24)21-13-5-7-14(8-6-13)23(27)28/h2-10H,11-12H2,1H3,(H,21,24)