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

Systemtic Name: methyl (2S)-1-[(Z)-2-cyano-3-(1-nitronaphthalen-2-yl)prop-2-enyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(Z)-2-cyano-3-(1-nitro-2-naphthyl)allyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(Z)-2-cyano-3-(1-nitro-2-naphthalenyl)prop-2-enyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(Z)-2-cyano-3-(1-nitronaphthalen-2-yl)prop-2-enyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(Z)-2-cyano-3-(1-nitro-2-naphthyl)allyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1CC(=CC2=C(C3=CC=CC=C3C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C/C(=C/C2=C(C3=CC=CC=C3C=C2)[N+](=O)[O-])/C#N

InChI

InChI=1S/C20H19N3O4/c1-27-20(24)18-7-4-10-22(18)13-14(12-21)11-16-9-8-15-5-2-3-6-17(15)19(16)23(25)26/h2-3,5-6,8-9,11,18H,4,7,10,13H2,1H3/b14-11+/t18-/m0/s1