[(1S)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [(1S)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [(1S)-2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C27H23N3O5 MolecularWeight: 469.48862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)O[C@@H](C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C27H23N3O5/c31-25(21-17-28-22-11-5-4-10-20(21)22)26(18-8-2-1-3-9-18)35-27(32)19-12-13-23(24(16-19)30(33)34)29-14-6-7-15-29/h1-5,8-13,16-17,26,28H,6-7,14-15H2/t26-/m0/s1