[2-[(2-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate

Systemtic Name: [2-[(2-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate Openeye Name: [2-oxo-2-(2-sec-butylanilino)ethyl] 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid [2-(2-butan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-butan-2-ylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid [2-keto-2-(2-sec-butylanilino)ethyl] ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=NNC3=CC=CC=C32

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=NNC3=CC=CC=C32

InChI

InChI=1S/C20H21N3O3/c1-3-13(2)14-8-4-6-10-16(14)21-18(24)12-26-20(25)19-15-9-5-7-11-17(15)22-23-19/h4-11,13H,3,12H2,1-2H3,(H,21,24)(H,22,23)