[4-[(Z)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 6-oxidanylidene-3,4-diphenyl-1H-pyridazine-5-carboxylate

Systemtic Name: [4-[(Z)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 6-oxidanylidene-3,4-diphenyl-1H-pyridazine-5-carboxylate Openeye Name: [4-[(Z)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxylate CAS Name: 6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxylic acid [4-[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxylate Traditional Name: 6-keto-3,4-diphenyl-1H-pyridazine-5-carboxylic acid [4-[(Z)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C28H20N4O5 MolecularWeight: 492.4822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N)OC(=O)C2=C(C(=NNC2=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(/C#N)\C(=O)N)OC(=O)C2=C(C(=NNC2=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H20N4O5/c1-36-22-15-17(14-20(16-29)26(30)33)12-13-21(22)37-28(35)24-23(18-8-4-2-5-9-18)25(31-32-27(24)34)19-10-6-3-7-11-19/h2-15H,1H3,(H2,30,33)(H,32,34)/b20-14-