methyl (2S)-1-(2,3-dimethyl-4-nitro-2-phenyl-butylidene)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S)-1-(2,3-dimethyl-4-nitro-2-phenyl-butylidene)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-(2,3-dimethyl-4-nitro-2-phenyl-butylidene)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-(2,3-dimethyl-4-nitro-2-phenylbutylidene)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(2,3-dimethyl-4-nitro-2-phenylbutylidene)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(2,3-dimethyl-4-nitro-2-phenyl-butylidene)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4/c1-14(12-20(22)23)18(2,15-8-5-4-6-9-15)13-19-11-7-10-16(19)17(21)24-3/h4-6,8-9,12-14,16H,7,10-11H2,1-3H3/t14?,16-,18?/m0/s1