methyl 5-(1-methoxy-2-methyl-1-oxidanylidene-propan-2-yl)-2-nitro-benzoate

Systemtic Name: methyl 5-(1-methoxy-2-methyl-1-oxidanylidene-propan-2-yl)-2-nitro-benzoate Openeye Name: methyl 5-(2-methoxy-1,1-dimethyl-2-oxo-ethyl)-2-nitro-benzoate CAS Name: 5-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2-nitrobenzoate Traditional Name: 5-(2-keto-2-methoxy-1,1-dimethyl-ethyl)-2-nitro-benzoic acid methyl ester Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6/c1-13(2,12(16)20-4)8-5-6-10(14(17)18)9(7-8)11(15)19-3/h5-7H,1-4H3