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

Systemtic Name: [(2R)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1H-indole-3-carboxylate Openeye Name: [(1R)-2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 1H-indole-3-carboxylate CAS Name: 1H-indole-3-carboxylic acid [(2R)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 1H-indole-3-carboxylate Traditional Name: 1H-indole-3-carboxylic acid [(1R)-2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H14ClN3O5 MolecularWeight: 387.77386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C18H14ClN3O5/c1-10(17(23)21-16-7-6-11(22(25)26)8-14(16)19)27-18(24)13-9-20-15-5-3-2-4-12(13)15/h2-10,20H,1H3,(H,21,23)/t10-/m1/s1