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

Systemtic Name: 2-[(2-tert-butyl-6-methyl-phenyl)methylcarbamoyl]-3-oxidanylidene-1H-indazole-7-carboxylic acid Openeye Name: 2-[(2-tert-butyl-6-methyl-phenyl)methylcarbamoyl]-3-oxo-1H-indazole-7-carboxylic acid CAS Name: 2-[[(2-tert-butyl-6-methylphenyl)methylamino]-oxomethyl]-3-oxo-1H-indazole-7-carboxylic acid IUPAC Name: 2-[(2-tert-butyl-6-methylphenyl)methylcarbamoyl]-3-oxo-1H-indazole-7-carboxylic acid Traditional Name: 2-[(2-tert-butyl-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:

CC1=C(C(=CC=C1)C(C)(C)C)CNC(=O)N2C(=O)C3=C(N2)C(=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)(C)C)CNC(=O)N2C(=O)C3=C(N2)C(=CC=C3)C(=O)O

InChI

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