methyl (2S)-1-[(Z)-2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(Z)-2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(Z)-2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)allyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(Z)-2-cyano-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(Z)-2-cyano-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(Z)-2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)allyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(CN2CCCC2C(=O)OC)C#N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(/CN2CCC[C@H]2C(=O)OC)\C#N)[N+](=O)[O-])OC

InChI

InChI=1S/C18H21N3O6/c1-25-16-8-13(15(21(23)24)9-17(16)26-2)7-12(10-19)11-20-6-4-5-14(20)18(22)27-3/h7-9,14H,4-6,11H2,1-3H3/b12-7+/t14-/m0/s1