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

Systemtic Name: 2-[(2-ethyl-6-methyl-phenyl)methylcarbamoyl]-1-methyl-3-oxidanylidene-indazole-7-carboxylic acid Openeye Name: 2-[(2-ethyl-6-methyl-phenyl)methylcarbamoyl]-1-methyl-3-oxo-indazole-7-carboxylic acid CAS Name: 2-[[(2-ethyl-6-methylphenyl)methylamino]-oxomethyl]-1-methyl-3-oxo-7-indazolecarboxylic acid IUPAC Name: 2-[(2-ethyl-6-methylphenyl)methylcarbamoyl]-1-methyl-3-oxoindazole-7-carboxylic acid Traditional Name: 2-[(2-ethyl-6-methyl-benzyl)carbamoyl]-3-keto-1-methyl-indazoline-7-carboxylic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4/c1-4-13-8-5-7-12(2)16(13)11-21-20(27)23-18(24)14-9-6-10-15(19(25)26)17(14)22(23)3/h5-10H,4,11H2,1-3H3,(H,21,27)(H,25,26)