ethyl 4-cyano-5-methyl-2-(3-nitrophenyl)-3-oxidanylidene-4H-pyridazin-2-ium-6-carboxylate

Systemtic Name: ethyl 4-cyano-5-methyl-2-(3-nitrophenyl)-3-oxidanylidene-4H-pyridazin-2-ium-6-carboxylate Openeye Name: ethyl 4-cyano-5-methyl-2-(3-nitrophenyl)-3-oxo-4H-pyridazin-2-ium-6-carboxylate CAS Name: 4-cyano-5-methyl-2-(3-nitrophenyl)-3-oxo-4H-pyridazin-2-ium-6-carboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-methyl-2-(3-nitrophenyl)-3-oxo-4H-pyridazin-2-ium-6-carboxylate Traditional Name: 4-cyano-3-keto-5-methyl-2-(3-nitrophenyl)-4H-pyridazin-2-ium-6-carboxylic acid ethyl ester Formula: C15H13N4O5+ MolecularWeight: 329.28752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(C(=O)[N+](=N1)C2=CC(=CC=C2)[N+](=O)[O-])C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(C(=O)[N+](=N1)C2=CC(=CC=C2)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C15H13N4O5/c1-3-24-15(21)13-9(2)12(8-16)14(20)18(17-13)10-5-4-6-11(7-10)19(22)23/h4-7,12H,3H2,1-2H3/q+1