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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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