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

Systemtic Name: methyl 2-azanyl-3-(2-oxidanylidenebutyl)benzoate Openeye Name: methyl 2-amino-3-(2-oxobutyl)benzoate CAS Name: 2-amino-3-(2-oxobutyl)benzoic acid methyl ester IUPAC Name: methyl 2-amino-3-(2-oxobutyl)benzoate Traditional Name: 2-amino-3-(2-ketobutyl)benzoic acid methyl ester Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC1=CC=CC(=C1N)C(=O)OC

Isomeric SMILES

CCC(=O)CC1=CC=CC(=C1N)C(=O)OC

InChI

InChI=1S/C12H15NO3/c1-3-9(14)7-8-5-4-6-10(11(8)13)12(15)16-2/h4-6H,3,7,13H2,1-2H3