methyl 4-[2-[(4-methoxyphenyl)methyl]-1-oxidanidyl-pyrazol-1-ium-3-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[2-[(4-methoxyphenyl)methyl]-1-oxidanidyl-pyrazol-1-ium-3-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[2-[(4-methoxyphenyl)methyl]-1-oxido-pyrazol-1-ium-3-yl]-4-oxo-butanoate CAS Name: 4-[2-[(4-methoxyphenyl)methyl]-1-oxido-3-pyrazol-1-iumyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[2-[(4-methoxyphenyl)methyl]-1-oxidopyrazol-1-ium-3-yl]-4-oxobutanoate Traditional Name: 4-keto-4-(1-oxido-2-p-anisyl-pyrazol-1-ium-3-yl)butyric acid methyl ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=CC=[N+]2[O-])C(=O)CCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=CC=[N+]2[O-])C(=O)CCC(=O)OC

InChI

InChI=1S/C16H18N2O5/c1-22-13-5-3-12(4-6-13)11-17-14(9-10-18(17)21)15(19)7-8-16(20)23-2/h3-6,9-10H,7-8,11H2,1-2H3