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

Systemtic Name: [4-bromanyl-2-[(E)-(pyrazin-2-ylcarbonylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate Openeye Name: [4-bromo-2-[(E)-(pyrazine-2-carbonylhydrazono)methyl]phenyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [4-bromo-2-[(E)-[[oxo(2-pyrazinyl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [4-bromo-2-[(E)-(pyrazinoylhydrazono)methyl]phenyl] ester Formula: C22H19BrN4O4 MolecularWeight: 483.31466

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)C3=NC=CN=C3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=NC=CN=C3

InChI

InChI=1S/C22H19BrN4O4/c1-2-11-30-18-6-3-15(4-7-18)22(29)31-20-8-5-17(23)12-16(20)13-26-27-21(28)19-14-24-9-10-25-19/h3-10,12-14H,2,11H2,1H3,(H,27,28)/b26-13+