propan-2-yl 2-[3-(4-methylphenyl)-6-oxidanylidene-3H-pyridazin-1-ium-1-yl]ethanoate

Systemtic Name: propan-2-yl 2-[3-(4-methylphenyl)-6-oxidanylidene-3H-pyridazin-1-ium-1-yl]ethanoate Openeye Name: isopropyl 2-[6-oxo-3-(p-tolyl)-3H-pyridazin-1-ium-1-yl]acetate CAS Name: 2-[3-(4-methylphenyl)-6-oxo-3H-pyridazin-1-ium-1-yl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[3-(4-methylphenyl)-6-oxo-3H-pyridazin-1-ium-1-yl]acetate Traditional Name: 2-[6-keto-3-(p-tolyl)-3H-pyridazin-1-ium-1-yl]acetic acid isopropyl ester Formula: C16H19N2O3+ MolecularWeight: 287.33366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C=CC(=O)[N+](=N2)CC(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2C=CC(=O)[N+](=N2)CC(=O)OC(C)C

InChI

InChI=1S/C16H19N2O3/c1-11(2)21-16(20)10-18-15(19)9-8-14(17-18)13-6-4-12(3)5-7-13/h4-9,11,14H,10H2,1-3H3/q+1