methyl 2-(1-ethoxy-1-oxidanylidene-propan-2-yl)-6-nitro-benzoate

Systemtic Name: methyl 2-(1-ethoxy-1-oxidanylidene-propan-2-yl)-6-nitro-benzoate Openeye Name: methyl 2-(2-ethoxy-1-methyl-2-oxo-ethyl)-6-nitro-benzoate CAS Name: 2-(1-ethoxy-1-oxopropan-2-yl)-6-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(1-ethoxy-1-oxopropan-2-yl)-6-nitrobenzoate Traditional Name: 2-(2-ethoxy-2-keto-1-methyl-ethyl)-6-nitro-benzoic acid methyl ester Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6/c1-4-20-12(15)8(2)9-6-5-7-10(14(17)18)11(9)13(16)19-3/h5-8H,4H2,1-3H3