[4-bromanyl-2-[(E)-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzoate

Systemtic Name: [4-bromanyl-2-[(E)-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzoate Openeye Name: [4-bromo-2-[(E)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazono)methyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-bromo-2-[(E)-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-bromo-2-[(E)-(2,3-dihydro-1,4-benzodioxin-3-carbonylhydrazono)methyl]phenyl] ester Formula: C23H16BrN3O7 MolecularWeight: 526.29304

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NN=CC3=C(C=CC(=C3)Br)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C(=O)N/N=C/C3=C(C=CC(=C3)Br)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H16BrN3O7/c24-16-7-10-18(34-23(29)14-5-8-17(9-6-14)27(30)31)15(11-16)12-25-26-22(28)21-13-32-19-3-1-2-4-20(19)33-21/h1-12,21H,13H2,(H,26,28)/b25-12+