methyl (2S)-1-[(Z)-3-(5-chloranyl-2-nitro-phenyl)-2-cyano-prop-2-enyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(Z)-3-(5-chloranyl-2-nitro-phenyl)-2-cyano-prop-2-enyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(Z)-3-(5-chloro-2-nitro-phenyl)-2-cyano-allyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(Z)-3-(5-chloro-2-nitrophenyl)-2-cyanoprop-2-enyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(Z)-3-(5-chloro-2-nitrophenyl)-2-cyanoprop-2-enyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(Z)-3-(5-chloro-2-nitro-phenyl)-2-cyano-allyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C16H16ClN3O4 MolecularWeight: 349.76894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O4/c1-24-16(21)15-3-2-6-19(15)10-11(9-18)7-12-8-13(17)4-5-14(12)20(22)23/h4-5,7-8,15H,2-3,6,10H2,1H3/b11-7+/t15-/m0/s1