methyl 2-(3,5-dinitrophenyl)carbonyl-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-(3,5-dinitrophenyl)carbonyl-3-oxidanylidene-butanoate Openeye Name: methyl 2-(3,5-dinitrobenzoyl)-3-oxo-butanoate CAS Name: 2-[(3,5-dinitrophenyl)-oxomethyl]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(3,5-dinitrobenzoyl)-3-oxobutanoate Traditional Name: 2-(3,5-dinitrobenzoyl)-3-keto-butyric acid methyl ester Formula: C12H10N2O8 MolecularWeight: 310.2164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)C(C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C12H10N2O8/c1-6(15)10(12(17)22-2)11(16)7-3-8(13(18)19)5-9(4-7)14(20)21/h3-5,10H,1-2H3