methyl (2S,3S)-1-[(4-nitronaphthalen-1-yl)carbamoyl]-3-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,3S)-1-[(4-nitronaphthalen-1-yl)carbamoyl]-3-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,3S)-3-hydroxy-1-[(4-nitro-1-naphthyl)carbamoyl]pyrrolidine-2-carboxylate CAS Name: (2S,3S)-3-hydroxy-1-[[(4-nitro-1-naphthalenyl)amino]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S)-3-hydroxy-1-[(4-nitronaphthalen-1-yl)carbamoyl]pyrrolidine-2-carboxylate Traditional Name: (2S,3S)-3-hydroxy-1-[(4-nitro-1-naphthyl)carbamoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(CCN1C(=O)NC2=CC=C(C3=CC=CC=C32)[N+](=O)[O-])O

Isomeric SMILES

COC(=O)[C@@H]1[C@H](CCN1C(=O)NC2=CC=C(C3=CC=CC=C32)[N+](=O)[O-])O

InChI

InChI=1S/C17H17N3O6/c1-26-16(22)15-14(21)8-9-19(15)17(23)18-12-6-7-13(20(24)25)11-5-3-2-4-10(11)12/h2-7,14-15,21H,8-9H2,1H3,(H,18,23)/t14-,15-/m0/s1