methyl (2S)-1-(2-methyl-4-nitro-2-phenyl-butylidene)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S)-1-(2-methyl-4-nitro-2-phenyl-butylidene)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-(2-methyl-4-nitro-2-phenyl-butylidene)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-(2-methyl-4-nitro-2-phenylbutylidene)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(2-methyl-4-nitro-2-phenylbutylidene)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(2-methyl-4-nitro-2-phenyl-butylidene)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[CH-][N+](=O)[O-])(C=[N+]1CCCC1C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC(C[CH-][N+](=O)[O-])(C=[N+]1CCC[C@H]1C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C17H22N2O4/c1-17(10-12-19(21)22,14-7-4-3-5-8-14)13-18-11-6-9-15(18)16(20)23-2/h3-5,7-8,12-13,15H,6,9-11H2,1-2H3/t15-,17?/m0/s1