tert-butyl 3-[(1R)-1-[(2S)-2-methoxycarbonyl-5-oxidanylidene-1-(phenylmethyl)pyrrolidin-2-yl]-2-nitro-ethyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(1R)-1-[(2S)-2-methoxycarbonyl-5-oxidanylidene-1-(phenylmethyl)pyrrolidin-2-yl]-2-nitro-ethyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(1R)-1-[(2S)-1-benzyl-2-methoxycarbonyl-5-oxo-pyrrolidin-2-yl]-2-nitro-ethyl]indole-1-carboxylate CAS Name: 3-[(1R)-1-[(2S)-2-methoxycarbonyl-5-oxo-1-(phenylmethyl)-2-pyrrolidinyl]-2-nitroethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(1R)-1-[(2S)-1-benzyl-2-methoxycarbonyl-5-oxopyrrolidin-2-yl]-2-nitroethyl]indole-1-carboxylate Traditional Name: 3-[(1R)-1-[(2S)-1-benzyl-2-carbomethoxy-5-keto-pyrrolidin-2-yl]-2-nitro-ethyl]indole-1-carboxylic acid tert-butyl ester Formula: C28H31N3O7 MolecularWeight: 521.56164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C(C[N+](=O)[O-])C3(CCC(=O)N3CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)[C@H](C[N+](=O)[O-])[C@@]3(CCC(=O)N3CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C28H31N3O7/c1-27(2,3)38-26(34)29-17-21(20-12-8-9-13-23(20)29)22(18-31(35)36)28(25(33)37-4)15-14-24(32)30(28)16-19-10-6-5-7-11-19/h5-13,17,22H,14-16,18H2,1-4H3/t22-,28-/m0/s1