[2-[(E)-[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]methyl]-4-nitro-phenyl] benzoate

Systemtic Name: [2-[(E)-[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]methyl]-4-nitro-phenyl] benzoate Openeye Name: [2-[(E)-[(5-bromopyridine-3-carbonyl)hydrazono]methyl]-4-nitro-phenyl] benzoate CAS Name: benzoic acid [2-[(E)-[[(5-bromo-3-pyridinyl)-oxomethyl]hydrazinylidene]methyl]-4-nitrophenyl] ester IUPAC Name: [2-[(E)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]-4-nitrophenyl] benzoate Traditional Name: benzoic acid [2-[(E)-[(5-bromonicotinoyl)hydrazono]methyl]-4-nitro-phenyl] ester Formula: C20H13BrN4O5 MolecularWeight: 469.24502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])/C=N/NC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C20H13BrN4O5/c21-16-8-15(10-22-12-16)19(26)24-23-11-14-9-17(25(28)29)6-7-18(14)30-20(27)13-4-2-1-3-5-13/h1-12H,(H,24,26)/b23-11+