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

Systemtic Name: 1-methyl-2-[(2-methyl-6-propan-2-yl-phenyl)methylcarbamoyl]-3-oxidanylidene-indazole-7-carboxylic acid Openeye Name: 2-[(2-isopropyl-6-methyl-phenyl)methylcarbamoyl]-1-methyl-3-oxo-indazole-7-carboxylic acid CAS Name: 1-methyl-2-[[(2-methyl-6-propan-2-ylphenyl)methylamino]-oxomethyl]-3-oxo-7-indazolecarboxylic acid IUPAC Name: 1-methyl-2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxoindazole-7-carboxylic acid Traditional Name: 2-[(2-isopropyl-6-methyl-benzyl)carbamoyl]-3-keto-1-methyl-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)CNC(=O)N2C(=O)C3=C(N2C)C(=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

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