[(2S)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1H-indazole-3-carboxylate

Systemtic Name: [(2S)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1H-indazole-3-carboxylate Openeye Name: [(1S)-2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid [(2S)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid [(1S)-2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H13ClN4O5 MolecularWeight: 388.76192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=NNC3=CC=CC=C32

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=NNC3=CC=CC=C32

InChI

InChI=1S/C17H13ClN4O5/c1-9(16(23)19-14-7-6-10(22(25)26)8-12(14)18)27-17(24)15-11-4-2-3-5-13(11)20-21-15/h2-9H,1H3,(H,19,23)(H,20,21)/t9-/m0/s1