[4-bromanyl-2-[(E)-[(6-methylpyridin-3-yl)carbonylhydrazinylidene]methyl]phenyl] benzoate

Systemtic Name: [4-bromanyl-2-[(E)-[(6-methylpyridin-3-yl)carbonylhydrazinylidene]methyl]phenyl] benzoate Openeye Name: [4-bromo-2-[(E)-[(6-methylpyridine-3-carbonyl)hydrazono]methyl]phenyl] benzoate CAS Name: benzoic acid [4-bromo-2-[(E)-[[(6-methyl-3-pyridinyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[(6-methylpyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] benzoate Traditional Name: benzoic acid [4-bromo-2-[(E)-[(6-methylnicotinoyl)hydrazono]methyl]phenyl] ester Formula: C21H16BrN3O3 MolecularWeight: 438.27404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)NN=CC2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H16BrN3O3/c1-14-7-8-16(12-23-14)20(26)25-24-13-17-11-18(22)9-10-19(17)28-21(27)15-5-3-2-4-6-15/h2-13H,1H3,(H,25,26)/b24-13+