[2-bromanyl-6-methoxy-4-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 4-methylbenzoate

Systemtic Name: [2-bromanyl-6-methoxy-4-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 4-methylbenzoate Openeye Name: [2-bromo-6-methoxy-4-[(E)-(pyridine-3-carbonylhydrazono)methyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-bromo-6-methoxy-4-[(E)-[[oxo(3-pyridinyl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-bromo-6-methoxy-4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-bromo-6-methoxy-4-[(E)-(nicotinoylhydrazono)methyl]phenyl] ester Formula: C22H18BrN3O4 MolecularWeight: 468.30002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C=NNC(=O)C3=CN=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)/C=N/NC(=O)C3=CN=CC=C3)OC

InChI

InChI=1S/C22H18BrN3O4/c1-14-5-7-16(8-6-14)22(28)30-20-18(23)10-15(11-19(20)29-2)12-25-26-21(27)17-4-3-9-24-13-17/h3-13H,1-2H3,(H,26,27)/b25-12+