methyl 4-[(Z)-(3-oxidanylidenepyrazolidin-1-ium-1-ylidene)methyl]benzoate

Systemtic Name: methyl 4-[(Z)-(3-oxidanylidenepyrazolidin-1-ium-1-ylidene)methyl]benzoate Openeye Name: methyl 4-[(Z)-(3-oxopyrazolidin-1-ium-1-ylidene)methyl]benzoate CAS Name: 4-[(Z)-(3-oxo-1-pyrazolidin-1-iumylidene)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-(3-oxopyrazolidin-1-ium-1-ylidene)methyl]benzoate Traditional Name: 4-[(Z)-(3-ketopyrazolidin-1-ium-1-ylidene)methyl]benzoic acid methyl ester Formula: C12H13N2O3+ MolecularWeight: 233.24322

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=[N+]2CCC(=O)N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=[N+]\2/CCC(=O)N2

InChI

InChI=1S/C12H12N2O3/c1-17-12(16)10-4-2-9(3-5-10)8-14-7-6-11(15)13-14/h2-5,8H,6-7H2,1H3/p+1