[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-methyl-3-pyrrol-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-methyl-3-pyrrol-1-yl-benzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate CAS Name: 4-methyl-3-(1-pyrrolyl)benzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-methyl-3-pyrrol-1-ylbenzoate Traditional Name: 4-methyl-3-pyrrol-1-yl-benzoic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCC=C)N2C=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCC=C)N2C=CC=C2

InChI

InChI=1S/C18H19N3O4/c1-3-8-19-18(24)20-16(22)12-25-17(23)14-7-6-13(2)15(11-14)21-9-4-5-10-21/h3-7,9-11H,1,8,12H2,2H3,(H2,19,20,22,24)