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

Systemtic Name: ethyl 2-[2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H19N3O7 MolecularWeight: 425.39146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O7/c1-2-30-20(26)13-31-18-5-3-4-17-16(18)10-11-23(21(17)27)12-19(25)22-14-6-8-15(9-7-14)24(28)29/h3-11H,2,12-13H2,1H3,(H,22,25)