5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]bicyclo[2.2.1]hept-2-ene-4-carboxylic acid

Systemtic Name: 5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]bicyclo[2.2.1]hept-2-ene-4-carboxylic acid Openeye Name: 5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]bicyclo[2.2.1]hept-2-ene-4-carboxylic acid CAS Name: 5-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-oxomethyl]-4-bicyclo[2.2.1]hept-2-enecarboxylic acid IUPAC Name: 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]bicyclo[2.2.1]hept-2-ene-4-carboxylic acid Traditional Name: 5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamoyl]bicyclo[2.2.1]hept-2-ene-4-carboxylic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CC4CC3(C=C4)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CC4CC3(C=C4)C(=O)O

InChI

InChI=1S/C20H21N3O4/c1-12-16(18(25)23(22(12)2)14-6-4-3-5-7-14)21-17(24)15-10-13-8-9-20(15,11-13)19(26)27/h3-9,13,15H,10-11H2,1-2H3,(H,21,24)(H,26,27)