tert-butyl (3S)-6-chloranyl-3-[(1S)-2-nitro-1-phenyl-ethyl]-2-oxidanylidene-3-phenyl-indole-1-carboxylate

Systemtic Name: tert-butyl (3S)-6-chloranyl-3-[(1S)-2-nitro-1-phenyl-ethyl]-2-oxidanylidene-3-phenyl-indole-1-carboxylate Openeye Name: tert-butyl (3S)-6-chloro-3-[(1S)-2-nitro-1-phenyl-ethyl]-2-oxo-3-phenyl-indoline-1-carboxylate CAS Name: (3S)-6-chloro-3-[(1S)-2-nitro-1-phenylethyl]-2-oxo-3-phenyl-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-6-chloro-3-[(1S)-2-nitro-1-phenylethyl]-2-oxo-3-phenylindole-1-carboxylate Traditional Name: (3S)-6-chloro-2-keto-3-[(1S)-2-nitro-1-phenyl-ethyl]-3-phenyl-indoline-1-carboxylic acid tert-butyl ester Formula: C27H25ClN2O5 MolecularWeight: 492.9508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)Cl)C(C1=O)(C3=CC=CC=C3)C(C[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)Cl)[C@@](C1=O)(C3=CC=CC=C3)[C@@H](C[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C27H25ClN2O5/c1-26(2,3)35-25(32)30-23-16-20(28)14-15-21(23)27(24(30)31,19-12-8-5-9-13-19)22(17-29(33)34)18-10-6-4-7-11-18/h4-16,22H,17H2,1-3H3/t22-,27-/m0/s1