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

Systemtic Name: methyl 4-nitro-3-(2-oxidanylidenebutyl)benzoate Openeye Name: methyl 4-nitro-3-(2-oxobutyl)benzoate CAS Name: 4-nitro-3-(2-oxobutyl)benzoic acid methyl ester IUPAC Name: methyl 4-nitro-3-(2-oxobutyl)benzoate Traditional Name: 3-(2-ketobutyl)-4-nitro-benzoic acid methyl ester Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)CC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO5/c1-3-10(14)7-9-6-8(12(15)18-2)4-5-11(9)13(16)17/h4-6H,3,7H2,1-2H3