[2-bromanyl-4-nitro-6-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [2-bromanyl-4-nitro-6-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 4-bromanylbenzoate Openeye Name: [2-bromo-4-nitro-6-[(E)-(pyridine-3-carbonylhydrazono)methyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-bromo-4-nitro-6-[(E)-[[oxo(3-pyridinyl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-bromo-4-nitro-6-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-bromo-6-[(E)-(nicotinoylhydrazono)methyl]-4-nitro-phenyl] ester Formula: C20H12Br2N4O5 MolecularWeight: 548.14108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CN=C1)C(=O)N/N=C/C2=CC(=CC(=C2OC(=O)C3=CC=C(C=C3)Br)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H12Br2N4O5/c21-15-5-3-12(4-6-15)20(28)31-18-14(8-16(26(29)30)9-17(18)22)11-24-25-19(27)13-2-1-7-23-10-13/h1-11H,(H,25,27)/b24-11+