ethyl 2-(7-nitro-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-(7-nitro-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-(7-nitro-1-oxo-3,4-dihydroisoquinolin-2-yl)-2-oxo-acetate CAS Name: 2-(7-nitro-1-oxo-3,4-dihydroisoquinolin-2-yl)-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-(7-nitro-1-oxo-3,4-dihydroisoquinolin-2-yl)-2-oxoacetate Traditional Name: 2-keto-2-(1-keto-7-nitro-3,4-dihydroisoquinolin-2-yl)acetic acid ethyl ester Formula: C13H12N2O6 MolecularWeight: 292.24418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)N1CCC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(=O)N1CCC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O6/c1-2-21-13(18)12(17)14-6-5-8-3-4-9(15(19)20)7-10(8)11(14)16/h3-4,7H,2,5-6H2,1H3