[(2S)-1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1H-indazole-3-carboxylate

Systemtic Name: [(2S)-1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1H-indazole-3-carboxylate Openeye Name: [(1S)-2-[(4-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid [(2S)-1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid [(1S)-2-[(4-chlorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H16ClN3O3 MolecularWeight: 357.79094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)Cl)OC(=O)C2=NNC3=CC=CC=C32

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)Cl)OC(=O)C2=NNC3=CC=CC=C32

InChI

InChI=1S/C18H16ClN3O3/c1-11(17(23)20-10-12-6-8-13(19)9-7-12)25-18(24)16-14-4-2-3-5-15(14)21-22-16/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1