1-(carboxymethyl)-2-[(2-ethyl-6-methyl-phenyl)methylcarbamoyl]-3-oxidanylidene-indazole-7-carboxylic acid

Systemtic Name: 1-(carboxymethyl)-2-[(2-ethyl-6-methyl-phenyl)methylcarbamoyl]-3-oxidanylidene-indazole-7-carboxylic acid Openeye Name: 1-(carboxymethyl)-2-[(2-ethyl-6-methyl-phenyl)methylcarbamoyl]-3-oxo-indazole-7-carboxylic acid CAS Name: 1-(carboxymethyl)-2-[[(2-ethyl-6-methylphenyl)methylamino]-oxomethyl]-3-oxo-7-indazolecarboxylic acid IUPAC Name: 1-(carboxymethyl)-2-[(2-ethyl-6-methylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid Traditional Name: 1-(carboxymethyl)-2-[(2-ethyl-6-methyl-benzyl)carbamoyl]-3-keto-indazoline-7-carboxylic acid Formula: C21H21N3O6 MolecularWeight: 411.40794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1CNC(=O)N2C(=O)C3=C(N2CC(=O)O)C(=CC=C3)C(=O)O)C

Isomeric SMILES

CCC1=CC=CC(=C1CNC(=O)N2C(=O)C3=C(N2CC(=O)O)C(=CC=C3)C(=O)O)C

InChI

InChI=1S/C21H21N3O6/c1-3-13-7-4-6-12(2)16(13)10-22-21(30)24-19(27)14-8-5-9-15(20(28)29)18(14)23(24)11-17(25)26/h4-9H,3,10-11H2,1-2H3,(H,22,30)(H,25,26)(H,28,29)