[4-bromanyl-2-[(E)-(pyrazin-2-ylcarbonylhydrazinylidene)methyl]phenyl] 3,4-dimethoxybenzoate

Systemtic Name: [4-bromanyl-2-[(E)-(pyrazin-2-ylcarbonylhydrazinylidene)methyl]phenyl] 3,4-dimethoxybenzoate Openeye Name: [4-bromo-2-[(E)-(pyrazine-2-carbonylhydrazono)methyl]phenyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [4-bromo-2-[(E)-[[oxo(2-pyrazinyl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [4-bromo-2-[(E)-(pyrazinoylhydrazono)methyl]phenyl] ester Formula: C21H17BrN4O5 MolecularWeight: 485.28748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)C3=NC=CN=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=NC=CN=C3)OC

InChI

InChI=1S/C21H17BrN4O5/c1-29-18-5-3-13(10-19(18)30-2)21(28)31-17-6-4-15(22)9-14(17)11-25-26-20(27)16-12-23-7-8-24-16/h3-12H,1-2H3,(H,26,27)/b25-11+