methyl 4-[3-(2-aminophenyl)prop-2-ynoyl]benzoate

Systemtic Name: methyl 4-[3-(2-aminophenyl)prop-2-ynoyl]benzoate Openeye Name: methyl 4-[3-(2-aminophenyl)prop-2-ynoyl]benzoate CAS Name: 4-[3-(2-aminophenyl)-1-oxoprop-2-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(2-aminophenyl)prop-2-ynoyl]benzoate Traditional Name: 4-[3-(2-aminophenyl)propioloyl]benzoic acid methyl ester Formula: C17H13NO3 MolecularWeight: 279.29002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)C#CC2=CC=CC=C2N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)C#CC2=CC=CC=C2N

InChI

InChI=1S/C17H13NO3/c1-21-17(20)14-8-6-13(7-9-14)16(19)11-10-12-4-2-3-5-15(12)18/h2-9H,18H2,1H3