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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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