methyl (2S)-1-[(Z)-2-cyano-3-(2-nitrophenyl)prop-2-enyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(Z)-2-cyano-3-(2-nitrophenyl)prop-2-enyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(Z)-2-cyano-3-(2-nitrophenyl)allyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(Z)-2-cyano-3-(2-nitrophenyl)prop-2-enyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(Z)-2-cyano-3-(2-nitrophenyl)prop-2-enyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(Z)-2-cyano-3-(2-nitrophenyl)allyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1CC(=CC2=CC=CC=C2[N+](=O)[O-])C#N

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C/C(=C/C2=CC=CC=C2[N+](=O)[O-])/C#N

InChI

InChI=1S/C16H17N3O4/c1-23-16(20)15-7-4-8-18(15)11-12(10-17)9-13-5-2-3-6-14(13)19(21)22/h2-3,5-6,9,15H,4,7-8,11H2,1H3/b12-9+/t15-/m0/s1