ethyl 2-(3,5-dinitrophenyl)carbonyl-5-oxidanylidene-1H-pyrazole-3-carboxylate

Systemtic Name: ethyl 2-(3,5-dinitrophenyl)carbonyl-5-oxidanylidene-1H-pyrazole-3-carboxylate Openeye Name: ethyl 2-(3,5-dinitrobenzoyl)-5-oxo-1H-pyrazole-3-carboxylate CAS Name: 2-[(3,5-dinitrophenyl)-oxomethyl]-5-oxo-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dinitrobenzoyl)-5-oxo-1H-pyrazole-3-carboxylate Traditional Name: 2-(3,5-dinitrobenzoyl)-5-keto-3-pyrazoline-3-carboxylic acid ethyl ester Formula: C13H10N4O8 MolecularWeight: 350.2405

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)NN1C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=O)NN1C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O8/c1-2-25-13(20)10-6-11(18)14-15(10)12(19)7-3-8(16(21)22)5-9(4-7)17(23)24/h3-6H,2H2,1H3,(H,14,18)