[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C18H21ClN4O4 MolecularWeight: 392.83674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)N2C(=C(C(=N2)C)Cl)C

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)N2C(=C(C(=N2)C)Cl)C

InChI

InChI=1S/C18H21ClN4O4/c1-4-9-20-18(26)21-15(24)10-27-17(25)13-5-7-14(8-6-13)23-12(3)16(19)11(2)22-23/h5-8H,4,9-10H2,1-3H3,(H2,20,21,24,26)