methyl (2S)-1-[(Z)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(Z)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(Z)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)allyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(Z)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(Z)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(Z)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)allyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1CC(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C/C(=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)/C#N

InChI

InChI=1S/C17H17N3O6/c1-24-17(21)13-3-2-4-19(13)9-11(8-18)5-12-6-15-16(26-10-25-15)7-14(12)20(22)23/h5-7,13H,2-4,9-10H2,1H3/b11-5+/t13-/m0/s1