methyl 4-[3-(methylamino)-3-oxidanylidene-prop-1-ynyl]benzoate

Systemtic Name: methyl 4-[3-(methylamino)-3-oxidanylidene-prop-1-ynyl]benzoate Openeye Name: methyl 4-[3-(methylamino)-3-oxo-prop-1-ynyl]benzoate CAS Name: 4-[3-(methylamino)-3-oxoprop-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(methylamino)-3-oxoprop-1-ynyl]benzoate Traditional Name: 4-[3-keto-3-(methylamino)prop-1-ynyl]benzoic acid methyl ester Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO3/c1-13-11(14)8-5-9-3-6-10(7-4-9)12(15)16-2/h3-4,6-7H,1-2H3,(H,13,14)