[2-methoxy-4-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate

Systemtic Name: [2-methoxy-4-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate Openeye Name: [2-methoxy-4-[(E)-(phthalazin-1-ylhydrazono)methyl]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-methoxy-4-[(E)-(1-phthalazinylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-methoxy-4-[(E)-(phthalazin-1-ylhydrazono)methyl]phenyl] ester Formula: C22H17N5O3 MolecularWeight: 399.40208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC2=NN=CC3=CC=CC=C32)OC(=O)C4=CN=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC2=NN=CC3=CC=CC=C32)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H17N5O3/c1-29-20-11-15(8-9-19(20)30-22(28)17-6-4-10-23-13-17)12-24-26-21-18-7-3-2-5-16(18)14-25-27-21/h2-14H,1H3,(H,26,27)/b24-12+