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

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4-acetamidobenzoate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic 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-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C17H20N4O4 MolecularWeight: 344.3651

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C17H20N4O4/c1-11(2)21-15(8-9-18-21)20-16(23)10-25-17(24)13-4-6-14(7-5-13)19-12(3)22/h4-9,11H,10H2,1-3H3,(H,19,22)(H,20,23)