[2,6-bis(bromanyl)-4-[(4-phenyldiazenylphenyl)iminomethyl]phenyl] 3,5-dinitrobenzoate

Systemtic Name: [2,6-bis(bromanyl)-4-[(4-phenyldiazenylphenyl)iminomethyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [2,6-dibromo-4-[(4-phenylazophenyl)iminomethyl]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2,6-dibromo-4-[(4-phenyldiazenylphenyl)iminomethyl]phenyl] ester IUPAC Name: [2,6-dibromo-4-[(4-phenyldiazenylphenyl)iminomethyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2,6-dibromo-4-[(4-phenylazophenyl)iminomethyl]phenyl] ester Formula: C26H15Br2N5O6 MolecularWeight: 653.2352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=CC3=CC(=C(C(=C3)Br)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=CC3=CC(=C(C(=C3)Br)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C26H15Br2N5O6/c27-23-10-16(15-29-18-6-8-20(9-7-18)31-30-19-4-2-1-3-5-19)11-24(28)25(23)39-26(34)17-12-21(32(35)36)14-22(13-17)33(37)38/h1-15H