methyl 4-(4-methoxy-1-nitro-4-oxidanylidene-butyl)benzoate

Systemtic Name: methyl 4-(4-methoxy-1-nitro-4-oxidanylidene-butyl)benzoate Openeye Name: methyl 4-(4-methoxy-1-nitro-4-oxo-butyl)benzoate CAS Name: 4-(4-methoxy-1-nitro-4-oxobutyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-methoxy-1-nitro-4-oxobutyl)benzoate Traditional Name: 4-(4-keto-4-methoxy-1-nitro-butyl)benzoic acid methyl ester Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6/c1-19-12(15)8-7-11(14(17)18)9-3-5-10(6-4-9)13(16)20-2/h3-6,11H,7-8H2,1-2H3