2-[(2-butyl-6-methyl-phenyl)methylcarbamoyl]-3-oxidanylidene-1H-indazole-4-carboxylic acid

Systemtic Name: 2-[(2-butyl-6-methyl-phenyl)methylcarbamoyl]-3-oxidanylidene-1H-indazole-4-carboxylic acid Openeye Name: 2-[(2-butyl-6-methyl-phenyl)methylcarbamoyl]-3-oxo-1H-indazole-4-carboxylic acid CAS Name: 2-[[(2-butyl-6-methylphenyl)methylamino]-oxomethyl]-3-oxo-1H-indazole-4-carboxylic acid IUPAC Name: 2-[(2-butyl-6-methylphenyl)methylcarbamoyl]-3-oxo-1H-indazole-4-carboxylic acid Traditional Name: 2-[(2-butyl-6-methyl-benzyl)carbamoyl]-3-keto-indazoline-4-carboxylic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1CNC(=O)N2C(=O)C3=C(C=CC=C3N2)C(=O)O)C

Isomeric SMILES

CCCCC1=CC=CC(=C1CNC(=O)N2C(=O)C3=C(C=CC=C3N2)C(=O)O)C

InChI

InChI=1S/C21H23N3O4/c1-3-4-8-14-9-5-7-13(2)16(14)12-22-21(28)24-19(25)18-15(20(26)27)10-6-11-17(18)23-24/h5-7,9-11,23H,3-4,8,12H2,1-2H3,(H,22,28)(H,26,27)