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

Systemtic Name: 2-[(2-methyl-6-propan-2-yl-phenyl)methylcarbamoyl]-3-oxidanylidene-1H-indazole-4-carboxylic acid Openeye Name: 2-[(2-isopropyl-6-methyl-phenyl)methylcarbamoyl]-3-oxo-1H-indazole-4-carboxylic acid CAS Name: 2-[[(2-methyl-6-propan-2-ylphenyl)methylamino]-oxomethyl]-3-oxo-1H-indazole-4-carboxylic acid IUPAC Name: 2-[(2-methyl-6-propan-2-ylphenyl)methylcarbamoyl]-3-oxo-1H-indazole-4-carboxylic acid Traditional Name: 2-[(2-isopropyl-6-methyl-benzyl)carbamoyl]-3-keto-indazoline-4-carboxylic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)CNC(=O)N2C(=O)C3=C(C=CC=C3N2)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)CNC(=O)N2C(=O)C3=C(C=CC=C3N2)C(=O)O

InChI

InChI=1S/C20H21N3O4/c1-11(2)13-7-4-6-12(3)15(13)10-21-20(27)23-18(24)17-14(19(25)26)8-5-9-16(17)22-23/h4-9,11,22H,10H2,1-3H3,(H,21,27)(H,25,26)