ethyl 4,6-bis(4-methoxyphenyl)-1-oxidanidyl-5-propan-2-yl-pyridazin-1-ium-3-carboxylate

Systemtic Name: ethyl 4,6-bis(4-methoxyphenyl)-1-oxidanidyl-5-propan-2-yl-pyridazin-1-ium-3-carboxylate Openeye Name: ethyl 5-isopropyl-4,6-bis(4-methoxyphenyl)-1-oxido-pyridazin-1-ium-3-carboxylate CAS Name: 4,6-bis(4-methoxyphenyl)-1-oxido-5-propan-2-yl-3-pyridazin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4,6-bis(4-methoxyphenyl)-1-oxido-5-propan-2-ylpyridazin-1-ium-3-carboxylate Traditional Name: 5-isopropyl-4,6-bis(4-methoxyphenyl)-1-oxido-pyridazin-1-ium-3-carboxylic acid ethyl ester Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=N[N+](=C(C(=C1C2=CC=C(C=C2)OC)C(C)C)C3=CC=C(C=C3)OC)[O-]

Isomeric SMILES

CCOC(=O)C1=N[N+](=C(C(=C1C2=CC=C(C=C2)OC)C(C)C)C3=CC=C(C=C3)OC)[O-]

InChI

InChI=1S/C24H26N2O5/c1-6-31-24(27)22-21(16-7-11-18(29-4)12-8-16)20(15(2)3)23(26(28)25-22)17-9-13-19(30-5)14-10-17/h7-15H,6H2,1-5H3