[2-methoxy-4-[(E)-[(4-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [2-methoxy-4-[(E)-[(4-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] 4-bromanylbenzoate Openeye Name: [2-methoxy-4-[(E)-[(4-nitrobenzoyl)hydrazono]methyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-methoxy-4-[(E)-[[(4-nitrophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-methoxy-4-[(E)-[(4-nitrobenzoyl)hydrazono]methyl]phenyl] ester Formula: C22H16BrN3O6 MolecularWeight: 498.28294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H16BrN3O6/c1-31-20-12-14(2-11-19(20)32-22(28)16-3-7-17(23)8-4-16)13-24-25-21(27)15-5-9-18(10-6-15)26(29)30/h2-13H,1H3,(H,25,27)/b24-13+