diethyl 2-methyl-2-(4-nitro-1-oxidanylidene-8aH-quinolin-1-ium-3-yl)propanedioate

Systemtic Name: diethyl 2-methyl-2-(4-nitro-1-oxidanylidene-8aH-quinolin-1-ium-3-yl)propanedioate Openeye Name: diethyl 2-methyl-2-(4-nitro-1-oxo-8aH-quinolin-1-ium-3-yl)propanedioate CAS Name: 2-methyl-2-(4-nitro-1-oxo-8aH-quinolin-1-ium-3-yl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-methyl-2-(4-nitro-1-oxo-8aH-quinolin-1-ium-3-yl)propanedioate Traditional Name: 2-(1-keto-4-nitro-8aH-quinolin-1-ium-3-yl)-2-methyl-malonic acid diethyl ester Formula: C17H19N2O7+ MolecularWeight: 363.34196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C1=C[N+](=O)C2C=CC=CC2=C1[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C)(C1=C[N+](=O)C2C=CC=CC2=C1[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C17H19N2O7/c1-4-25-15(20)17(3,16(21)26-5-2)12-10-18(22)13-9-7-6-8-11(13)14(12)19(23)24/h6-10,13H,4-5H2,1-3H3/q+1