[3-[(E)-[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]methyl]phenyl] 4-nitrobenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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