[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4-methylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4-methylbenzoate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C16H19N3O3 MolecularWeight: 301.34036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=NN2C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=NN2C(C)C

InChI

InChI=1S/C16H19N3O3/c1-11(2)19-14(8-9-17-19)18-15(20)10-22-16(21)13-6-4-12(3)5-7-13/h4-9,11H,10H2,1-3H3,(H,18,20)