diethyl 2-methyl-2-(4-nitro-1-oxidanidyl-quinolin-1-ium-3-yl)propanedioate

Systemtic Name: diethyl 2-methyl-2-(4-nitro-1-oxidanidyl-quinolin-1-ium-3-yl)propanedioate Openeye Name: diethyl 2-methyl-2-(4-nitro-1-oxido-quinolin-1-ium-3-yl)propanedioate CAS Name: 2-methyl-2-(4-nitro-1-oxido-3-quinolin-1-iumyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-methyl-2-(4-nitro-1-oxidoquinolin-1-ium-3-yl)propanedioate Traditional Name: 2-methyl-2-(4-nitro-1-oxido-quinolin-1-ium-3-yl)malonic acid diethyl ester Formula: C17H18N2O7 MolecularWeight: 362.33402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O7/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/h6-10H,4-5H2,1-3H3