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

Systemtic Name: methyl 3-[6-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]-5-oxidanylidene-pyrido[2,3-d]pyridazin-8-yl]benzoate Openeye Name: methyl 3-[6-[(1-oxidopyridin-1-ium-4-yl)methyl]-5-oxo-pyrido[2,3-d]pyridazin-8-yl]benzoate CAS Name: 3-[6-[(1-oxido-4-pyridin-1-iumyl)methyl]-5-oxo-8-pyrido[2,3-d]pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 3-[6-[(1-oxidopyridin-1-ium-4-yl)methyl]-5-oxopyrido[2,3-d]pyridazin-8-yl]benzoate Traditional Name: 3-[5-keto-6-[(1-oxidopyridin-1-ium-4-yl)methyl]pyrido[2,3-d]pyridazin-8-yl]benzoic acid methyl ester Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O4/c1-29-21(27)16-5-2-4-15(12-16)18-19-17(6-3-9-22-19)20(26)25(23-18)13-14-7-10-24(28)11-8-14/h2-12H,13H2,1H3