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

Systemtic Name: 1-ethyl-2-[(2-ethyl-6-methyl-phenyl)methylcarbamoyl]-3-oxidanylidene-indazole-7-carboxylic acid Openeye Name: 1-ethyl-2-[(2-ethyl-6-methyl-phenyl)methylcarbamoyl]-3-oxo-indazole-7-carboxylic acid CAS Name: 1-ethyl-2-[[(2-ethyl-6-methylphenyl)methylamino]-oxomethyl]-3-oxo-7-indazolecarboxylic acid IUPAC Name: 1-ethyl-2-[(2-ethyl-6-methylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid Traditional Name: 1-ethyl-2-[(2-ethyl-6-methyl-benzyl)carbamoyl]-3-keto-indazoline-7-carboxylic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-4-14-9-6-8-13(3)17(14)12-22-21(28)24-19(25)15-10-7-11-16(20(26)27)18(15)23(24)5-2/h6-11H,4-5,12H2,1-3H3,(H,22,28)(H,26,27)