[3-[[4-[(3-nitrophenyl)carbonylamino]butanoylhydrazinylidene]methyl]phenyl] 2-bromanylbenzoate

Systemtic Name: [3-[[4-[(3-nitrophenyl)carbonylamino]butanoylhydrazinylidene]methyl]phenyl] 2-bromanylbenzoate Openeye Name: [3-[[4-[(3-nitrobenzoyl)amino]butanoylhydrazono]methyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [3-[[[4-[[(3-nitrophenyl)-oxomethyl]amino]-1-oxobutyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[[4-[(3-nitrobenzoyl)amino]butanoylhydrazinylidene]methyl]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [3-[[4-[(3-nitrobenzoyl)amino]butanoylhydrazono]methyl]phenyl] ester Formula: C25H21BrN4O6 MolecularWeight: 553.36144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21BrN4O6/c26-22-11-2-1-10-21(22)25(33)36-20-9-3-6-17(14-20)16-28-29-23(31)12-5-13-27-24(32)18-7-4-8-19(15-18)30(34)35/h1-4,6-11,14-16H,5,12-13H2,(H,27,32)(H,29,31)