methyl (3S,4S)-4-(2-methoxy-2-oxidanylidene-ethyl)-3-(2-methoxyphenyl)-1-oxidanidyl-3,4-dihydro-2H-pyrrol-1-ium-5-carboxylate

Systemtic Name: methyl (3S,4S)-4-(2-methoxy-2-oxidanylidene-ethyl)-3-(2-methoxyphenyl)-1-oxidanidyl-3,4-dihydro-2H-pyrrol-1-ium-5-carboxylate Openeye Name: methyl (3S,4S)-4-(2-methoxy-2-oxo-ethyl)-3-(2-methoxyphenyl)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-5-carboxylate CAS Name: (3S,4S)-4-(2-methoxy-2-oxoethyl)-3-(2-methoxyphenyl)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-5-carboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-4-(2-methoxy-2-oxoethyl)-3-(2-methoxyphenyl)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-5-carboxylate Traditional Name: (3S,4S)-3-(2-keto-2-methoxy-ethyl)-4-(2-methoxyphenyl)-1-oxido-1-pyrrolin-1-ium-2-carboxylic acid methyl ester Formula: C16H19NO6 MolecularWeight: 321.32516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C[N+](=C(C2CC(=O)OC)C(=O)OC)[O-]

Isomeric SMILES

COC1=CC=CC=C1[C@H]2C[N+](=C([C@H]2CC(=O)OC)C(=O)OC)[O-]

InChI

InChI=1S/C16H19NO6/c1-21-13-7-5-4-6-10(13)12-9-17(20)15(16(19)23-3)11(12)8-14(18)22-2/h4-7,11-12H,8-9H2,1-3H3/t11-,12+/m0/s1