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

Systemtic Name: methyl 4-azanyl-3-(2-oxidanylidenebutyl)benzoate Openeye Name: methyl 4-amino-3-(2-oxobutyl)benzoate CAS Name: 4-amino-3-(2-oxobutyl)benzoic acid methyl ester IUPAC Name: methyl 4-amino-3-(2-oxobutyl)benzoate Traditional Name: 4-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=C(C=CC(=C1)C(=O)OC)N

Isomeric SMILES

CCC(=O)CC1=C(C=CC(=C1)C(=O)OC)N

InChI

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