[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H14N2O3 MolecularWeight: 282.29396

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=CC=C(C=C1)N2C=CC=C2

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=CC=C(C=C1)N2C=CC=C2

InChI

InChI=1S/C16H14N2O3/c1-2-9-17-15(19)12-21-16(20)13-5-7-14(8-6-13)18-10-3-4-11-18/h1,3-8,10-11H,9,12H2,(H,17,19)