methyl 3-(3,5-dinitrophenyl)-2-oxidanylidene-propanoate

Systemtic Name: methyl 3-(3,5-dinitrophenyl)-2-oxidanylidene-propanoate Openeye Name: methyl 3-(3,5-dinitrophenyl)-2-oxo-propanoate CAS Name: 3-(3,5-dinitrophenyl)-2-oxopropanoic acid methyl ester IUPAC Name: methyl 3-(3,5-dinitrophenyl)-2-oxopropanoate Traditional Name: 3-(3,5-dinitrophenyl)-2-keto-propionic acid methyl ester Formula: C10H8N2O7 MolecularWeight: 268.17972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)CC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(=O)CC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H8N2O7/c1-19-10(14)9(13)4-6-2-7(11(15)16)5-8(3-6)12(17)18/h2-3,5H,4H2,1H3