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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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