methyl 3-nitro-4-(2-oxidanylideneethyl)benzoate

Systemtic Name: methyl 3-nitro-4-(2-oxidanylideneethyl)benzoate Openeye Name: methyl 3-nitro-4-(2-oxoethyl)benzoate CAS Name: 3-nitro-4-(2-oxoethyl)benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-(2-oxoethyl)benzoate Traditional Name: 4-(2-ketoethyl)-3-nitro-benzoic acid methyl ester Formula: C10H9NO5 MolecularWeight: 223.18216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO5/c1-16-10(13)8-3-2-7(4-5-12)9(6-8)11(14)15/h2-3,5-6H,4H2,1H3