[4-[(E)-(pyrazin-2-ylcarbonylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate

Systemtic Name: [4-[(E)-(pyrazin-2-ylcarbonylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate Openeye Name: [4-[(E)-(pyrazine-2-carbonylhydrazono)methyl]phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [4-[(E)-[[oxo(2-pyrazinyl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [4-[(E)-(pyrazinoylhydrazono)methyl]phenyl] ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=NC=CN=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=NC=CN=C3

InChI

InChI=1S/C23H22N4O4/c1-2-3-14-30-19-10-6-18(7-11-19)23(29)31-20-8-4-17(5-9-20)15-26-27-22(28)21-16-24-12-13-25-21/h4-13,15-16H,2-3,14H2,1H3,(H,27,28)/b26-15+