[3-[[6-[(2-bromophenyl)carbonylamino]hexanoylhydrazinylidene]methyl]phenyl] 3-nitrobenzoate

Systemtic Name: [3-[[6-[(2-bromophenyl)carbonylamino]hexanoylhydrazinylidene]methyl]phenyl] 3-nitrobenzoate Openeye Name: [3-[[6-[(2-bromobenzoyl)amino]hexanoylhydrazono]methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-[[[6-[[(2-bromophenyl)-oxomethyl]amino]-1-oxohexyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[[6-[(2-bromobenzoyl)amino]hexanoylhydrazinylidene]methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-[[6-[(2-bromobenzoyl)amino]hexanoylhydrazono]methyl]phenyl] ester Formula: C27H25BrN4O6 MolecularWeight: 581.4146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCCCC(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCCCC(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C27H25BrN4O6/c28-24-13-4-3-12-23(24)26(34)29-15-5-1-2-14-25(33)31-30-18-19-8-6-11-22(16-19)38-27(35)20-9-7-10-21(17-20)32(36)37/h3-4,6-13,16-18H,1-2,5,14-15H2,(H,29,34)(H,31,33)