[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate

Systemtic Name: [2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate Openeye Name: [2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl] 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid [2-(3-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid [2-(3-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C17H14BrN3O3 MolecularWeight: 388.21536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NNC3=CC=CC=C32)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NNC3=CC=CC=C32)Br

InChI

InChI=1S/C17H14BrN3O3/c1-10-6-7-11(8-13(10)18)19-15(22)9-24-17(23)16-12-4-2-3-5-14(12)20-21-16/h2-8H,9H2,1H3,(H,19,22)(H,20,21)