[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H18N2O3 MolecularWeight: 298.33642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C1=CC=C(C=C1)N2C=CC=C2

Isomeric SMILES

CC(C(=O)NCC=C)OC(=O)C1=CC=C(C=C1)N2C=CC=C2

InChI

InChI=1S/C17H18N2O3/c1-3-10-18-16(20)13(2)22-17(21)14-6-8-15(9-7-14)19-11-4-5-12-19/h3-9,11-13H,1,10H2,2H3,(H,18,20)