methyl 2-methyl-5-[6-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]-5-oxidanylidene-pyrido[2,3-d]pyridazin-8-yl]benzoate

Systemtic Name: methyl 2-methyl-5-[6-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]-5-oxidanylidene-pyrido[2,3-d]pyridazin-8-yl]benzoate Openeye Name: methyl 2-methyl-5-[6-[(1-oxidopyridin-1-ium-4-yl)methyl]-5-oxo-pyrido[2,3-d]pyridazin-8-yl]benzoate CAS Name: 2-methyl-5-[6-[(1-oxido-4-pyridin-1-iumyl)methyl]-5-oxo-8-pyrido[2,3-d]pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-5-[6-[(1-oxidopyridin-1-ium-4-yl)methyl]-5-oxopyrido[2,3-d]pyridazin-8-yl]benzoate Traditional Name: 5-[5-keto-6-[(1-oxidopyridin-1-ium-4-yl)methyl]pyrido[2,3-d]pyridazin-8-yl]-2-methyl-benzoic acid methyl ester Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=C2N=CC=C3)CC4=CC=[N+](C=C4)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=C2N=CC=C3)CC4=CC=[N+](C=C4)[O-])C(=O)OC

InChI

InChI=1S/C22H18N4O4/c1-14-5-6-16(12-18(14)22(28)30-2)19-20-17(4-3-9-23-20)21(27)26(24-19)13-15-7-10-25(29)11-8-15/h3-12H,13H2,1-2H3