[2-[(E)-[(6-methylpyridin-3-yl)carbonylhydrazinylidene]methyl]-4-nitro-phenyl] 3-bromanylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])OC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)N/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])OC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H15BrN4O5/c1-13-5-6-15(11-23-13)20(27)25-24-12-16-10-18(26(29)30)7-8-19(16)31-21(28)14-3-2-4-17(22)9-14/h2-12H,1H3,(H,25,27)/b24-12+