methyl 3-(1-methoxy-2-methyl-1-oxidanylidene-propan-2-yl)-4-nitro-benzoate

Systemtic Name: methyl 3-(1-methoxy-2-methyl-1-oxidanylidene-propan-2-yl)-4-nitro-benzoate Openeye Name: methyl 3-(2-methoxy-1,1-dimethyl-2-oxo-ethyl)-4-nitro-benzoate CAS Name: 3-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(1-methoxy-2-methyl-1-oxopropan-2-yl)-4-nitrobenzoate Traditional Name: 3-(2-keto-2-methoxy-1,1-dimethyl-ethyl)-4-nitro-benzoic acid methyl ester Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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