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

Systemtic Name: [2-bromanyl-6-[[(6-methylpyridin-3-yl)carbonylhydrazinylidene]methyl]-4-nitro-phenyl] benzoate Openeye Name: [2-bromo-6-[[(6-methylpyridine-3-carbonyl)hydrazono]methyl]-4-nitro-phenyl] benzoate CAS Name: benzoic acid [2-bromo-6-[[[(6-methyl-3-pyridinyl)-oxomethyl]hydrazinylidene]methyl]-4-nitrophenyl] ester IUPAC Name: [2-bromo-6-[[(6-methylpyridine-3-carbonyl)hydrazinylidene]methyl]-4-nitrophenyl] benzoate Traditional Name: benzoic acid [2-bromo-6-[[(6-methylnicotinoyl)hydrazono]methyl]-4-nitro-phenyl] ester Formula: C21H15BrN4O5 MolecularWeight: 483.2716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)NN=CC2=CC(=CC(=C2OC(=O)C3=CC=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)NN=CC2=CC(=CC(=C2OC(=O)C3=CC=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H15BrN4O5/c1-13-7-8-15(11-23-13)20(27)25-24-12-16-9-17(26(29)30)10-18(22)19(16)31-21(28)14-5-3-2-4-6-14/h2-12H,1H3,(H,25,27)