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

Systemtic Name: propan-2-yl 2-[3-(4-chlorophenyl)-6-oxidanylidene-3H-pyridazin-1-ium-1-yl]ethanoate Openeye Name: isopropyl 2-[3-(4-chlorophenyl)-6-oxo-3H-pyridazin-1-ium-1-yl]acetate CAS Name: 2-[3-(4-chlorophenyl)-6-oxo-3H-pyridazin-1-ium-1-yl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[3-(4-chlorophenyl)-6-oxo-3H-pyridazin-1-ium-1-yl]acetate Traditional Name: 2-[3-(4-chlorophenyl)-6-keto-3H-pyridazin-1-ium-1-yl]acetic acid isopropyl ester Formula: C15H16ClN2O3+ MolecularWeight: 307.75214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C[N+]1=NC(C=CC1=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)OC(=O)C[N+]1=NC(C=CC1=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H16ClN2O3/c1-10(2)21-15(20)9-18-14(19)8-7-13(17-18)11-3-5-12(16)6-4-11/h3-8,10,13H,9H2,1-2H3/q+1