methyl 4-(3-methoxy-3-oxidanylidene-propanoyl)-3,5-dinitro-benzoate

Systemtic Name: methyl 4-(3-methoxy-3-oxidanylidene-propanoyl)-3,5-dinitro-benzoate Openeye Name: methyl 4-(3-methoxy-3-oxo-propanoyl)-3,5-dinitro-benzoate CAS Name: 4-(3-methoxy-1,3-dioxopropyl)-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-(3-methoxy-3-oxopropanoyl)-3,5-dinitrobenzoate Traditional Name: 4-(3-keto-3-methoxy-propanoyl)-3,5-dinitro-benzoic acid methyl ester Formula: C12H10N2O9 MolecularWeight: 326.2158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O9/c1-22-10(16)5-9(15)11-7(13(18)19)3-6(12(17)23-2)4-8(11)14(20)21/h3-4H,5H2,1-2H3