ethyl (2S,3R,4S,5S)-3-(1-methylindol-3-yl)-4-nitro-5-phenyl-pyrrolidine-2-carboxylate

Systemtic Name: ethyl (2S,3R,4S,5S)-3-(1-methylindol-3-yl)-4-nitro-5-phenyl-pyrrolidine-2-carboxylate Openeye Name: ethyl (2S,3R,4S,5S)-3-(1-methylindol-3-yl)-4-nitro-5-phenyl-pyrrolidine-2-carboxylate CAS Name: (2S,3R,4S,5S)-3-(1-methyl-3-indolyl)-4-nitro-5-phenyl-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R,4S,5S)-3-(1-methylindol-3-yl)-4-nitro-5-phenylpyrrolidine-2-carboxylate Traditional Name: (2S,3R,4S,5S)-3-(1-methylindol-3-yl)-4-nitro-5-phenyl-pyrrolidine-2-carboxylic acid ethyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(N1)C2=CC=CC=C2)[N+](=O)[O-])C3=CN(C4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H]([C@@H]([C@@H](N1)C2=CC=CC=C2)[N+](=O)[O-])C3=CN(C4=CC=CC=C43)C

InChI

InChI=1S/C22H23N3O4/c1-3-29-22(26)20-18(16-13-24(2)17-12-8-7-11-15(16)17)21(25(27)28)19(23-20)14-9-5-4-6-10-14/h4-13,18-21,23H,3H2,1-2H3/t18-,19+,20+,21+/m1/s1