methyl 3-methyl-4-(3-oxidanylidenebutanoylamino)benzoate

Systemtic Name: methyl 3-methyl-4-(3-oxidanylidenebutanoylamino)benzoate Openeye Name: methyl 3-methyl-4-(3-oxobutanoylamino)benzoate CAS Name: 4-(1,3-dioxobutylamino)-3-methylbenzoic acid methyl ester IUPAC Name: methyl 3-methyl-4-(3-oxobutanoylamino)benzoate Traditional Name: 4-(acetoacetylamino)-3-methyl-benzoic acid methyl ester Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CC(=O)C

InChI

InChI=1S/C13H15NO4/c1-8-6-10(13(17)18-3)4-5-11(8)14-12(16)7-9(2)15/h4-6H,7H2,1-3H3,(H,14,16)