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

Systemtic Name: [3-[[4-[(4-nitrophenyl)carbonylamino]butanoylhydrazinylidene]methyl]phenyl] 2-bromanylbenzoate Openeye Name: [3-[[4-[(4-nitrobenzoyl)amino]butanoylhydrazono]methyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [3-[[[4-[[(4-nitrophenyl)-oxomethyl]amino]-1-oxobutyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[[4-[(4-nitrobenzoyl)amino]butanoylhydrazinylidene]methyl]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [3-[[4-[(4-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=C(C=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=C(C=C3)[N+](=O)[O-])Br

InChI

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