methyl 4-(4-methoxy-1-nitro-4-oxidanylidene-butan-2-yl)benzoate

Systemtic Name: methyl 4-(4-methoxy-1-nitro-4-oxidanylidene-butan-2-yl)benzoate Openeye Name: methyl 4-[3-methoxy-1-(nitromethyl)-3-oxo-propyl]benzoate CAS Name: 4-(4-methoxy-1-nitro-4-oxobutan-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-methoxy-1-nitro-4-oxobutan-2-yl)benzoate Traditional Name: 4-[3-keto-3-methoxy-1-(nitromethyl)propyl]benzoic acid methyl ester Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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