[4-bromanyl-2-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzoate

Systemtic Name: [4-bromanyl-2-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzoate Openeye Name: [4-bromo-2-[(E)-(pyridine-3-carbonylhydrazono)methyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-bromo-2-[(E)-[[oxo(3-pyridinyl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-bromo-2-[(E)-(nicotinoylhydrazono)methyl]phenyl] ester Formula: C20H13BrN4O5 MolecularWeight: 469.24502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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