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

Systemtic Name: diethyl 2-(4-nitro-1-oxidanidyl-quinolin-1-ium-3-yl)propanedioate; sodium Openeye Name: diethyl 2-(4-nitro-1-oxido-quinolin-1-ium-3-yl)propanedioate; sodium CAS Name: 2-(4-nitro-1-oxido-3-quinolin-1-iumyl)propanedioic acid diethyl ester; sodium IUPAC Name: diethyl 2-(4-nitro-1-oxidoquinolin-1-ium-3-yl)propanedioate; sodium Traditional Name: 2-(4-nitro-1-oxido-quinolin-1-ium-3-yl)malonic acid diethyl ester; sodium Formula: C16H16N2NaO7 MolecularWeight: 371.29721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O7.Na/c1-3-24-15(19)13(16(20)25-4-2)11-9-17(21)12-8-6-5-7-10(12)14(11)18(22)23;/h5-9,13H,3-4H2,1-2H3;