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

Systemtic Name: [4-bromanyl-2-[(E)-(pyridin-4-ylcarbonylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate Openeye Name: [4-bromo-2-[(E)-(pyridine-4-carbonylhydrazono)methyl]phenyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [4-bromo-2-[(E)-[[oxo(pyridin-4-yl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [4-bromo-2-[(E)-(isonicotinoylhydrazono)methyl]phenyl] ester Formula: C23H20BrN3O4 MolecularWeight: 482.3266

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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=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrN3O4/c1-2-13-30-20-6-3-17(4-7-20)23(29)31-21-8-5-19(24)14-18(21)15-26-27-22(28)16-9-11-25-12-10-16/h3-12,14-15H,2,13H2,1H3,(H,27,28)/b26-15+