diethyl 5-[(3-nitro-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(3-nitro-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-keto-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C20H19N4O7+ MolecularWeight: 427.38746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC2=C(C(=O)[N+]3=CC=CC=C3N2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC2=C(C(=O)[N+]3=CC=CC=C3N2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C20H18N4O7/c1-3-30-19(26)12-9-13(20(27)31-4-2)11-14(10-12)21-17-16(24(28)29)18(25)23-8-6-5-7-15(23)22-17/h5-11H,3-4H2,1-2H3,(H,21,25)/p+1