ethyl 2-[(4-ethoxycarbonylphenyl)methyl]-3-oxidanylidene-5,6-diphenyl-pyridazine-4-carboxylate

Systemtic Name: ethyl 2-[(4-ethoxycarbonylphenyl)methyl]-3-oxidanylidene-5,6-diphenyl-pyridazine-4-carboxylate Openeye Name: ethyl 2-[(4-ethoxycarbonylphenyl)methyl]-3-oxo-5,6-diphenyl-pyridazine-4-carboxylate CAS Name: 2-[(4-ethoxycarbonylphenyl)methyl]-3-oxo-5,6-diphenyl-4-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-ethoxycarbonylphenyl)methyl]-3-oxo-5,6-diphenylpyridazine-4-carboxylate Traditional Name: 2-(4-carbethoxybenzyl)-3-keto-5,6-diphenyl-pyridazine-4-carboxylic acid ethyl ester Formula: C29H26N2O5 MolecularWeight: 482.52714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN2C(=O)C(=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN2C(=O)C(=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C29H26N2O5/c1-3-35-28(33)23-17-15-20(16-18-23)19-31-27(32)25(29(34)36-4-2)24(21-11-7-5-8-12-21)26(30-31)22-13-9-6-10-14-22/h5-18H,3-4,19H2,1-2H3