dimethyl (2E)-2-[(5R)-3-oxidanylidene-5-[(1R,2S)-2-oxidanyl-1-phenylmethoxy-propyl]pyrazolidin-1-ium-1-ylidene]butanedioate

Systemtic Name: dimethyl (2E)-2-[(5R)-3-oxidanylidene-5-[(1R,2S)-2-oxidanyl-1-phenylmethoxy-propyl]pyrazolidin-1-ium-1-ylidene]butanedioate Openeye Name: dimethyl (2E)-2-[(5R)-5-[(1R,2S)-1-benzyloxy-2-hydroxy-propyl]-3-oxo-pyrazolidin-1-ium-1-ylidene]butanedioate CAS Name: (2E)-2-[(5R)-5-[(1R,2S)-2-hydroxy-1-phenylmethoxypropyl]-3-oxo-1-pyrazolidin-1-iumylidene]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2E)-2-[(5R)-5-[(1R,2S)-2-hydroxy-1-phenylmethoxypropyl]-3-oxopyrazolidin-1-ium-1-ylidene]butanedioate Traditional Name: (2E)-2-[(5R)-5-[(1R,2S)-1-benzoxy-2-hydroxy-propyl]-3-keto-pyrazolidin-1-ium-1-ylidene]succinic acid dimethyl ester Formula: C19H25N2O7+ MolecularWeight: 393.411

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1CC(=O)N[N+]1=C(CC(=O)OC)C(=O)OC)OCC2=CC=CC=C2)O

Isomeric SMILES

C[C@@H]([C@@H]([C@H]\1CC(=O)N/[N+]1=C(\CC(=O)OC)/C(=O)OC)OCC2=CC=CC=C2)O

InChI

InChI=1S/C19H24N2O7/c1-12(22)18(28-11-13-7-5-4-6-8-13)14-9-16(23)20-21(14)15(19(25)27-3)10-17(24)26-2/h4-8,12,14,18,22H,9-11H2,1-3H3/p+1/t12-,14+,18-/m0/s1