[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate

Systemtic Name: [2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate Openeye Name: [2-(4-butoxycarbonylanilino)-2-oxo-ethyl] 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid [2-[4-[butoxy(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-butoxycarbonylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid [2-(4-butoxycarbonylanilino)-2-keto-ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=NNC3=CC=CC=C32

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=NNC3=CC=CC=C32

InChI

InChI=1S/C21H21N3O5/c1-2-3-12-28-20(26)14-8-10-15(11-9-14)22-18(25)13-29-21(27)19-16-6-4-5-7-17(16)23-24-19/h4-11H,2-3,12-13H2,1H3,(H,22,25)(H,23,24)