methyl 5-methyl-2-(prop-2-ynoylamino)benzoate

Systemtic Name: methyl 5-methyl-2-(prop-2-ynoylamino)benzoate Openeye Name: methyl 5-methyl-2-(prop-2-ynoylamino)benzoate CAS Name: 5-methyl-2-(1-oxoprop-2-ynylamino)benzoic acid methyl ester IUPAC Name: methyl 5-methyl-2-(prop-2-ynoylamino)benzoate Traditional Name: 5-methyl-2-(propioloylamino)benzoic acid methyl ester Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO3/c1-4-11(14)13-10-6-5-8(2)7-9(10)12(15)16-3/h1,5-7H,2-3H3,(H,13,14)