[3-[[2-(3-bromophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] 3-nitrobenzoate

Systemtic Name: [3-[[2-(3-bromophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] 3-nitrobenzoate Openeye Name: [3-[[2-(3-bromophenyl)-5-oxo-oxazol-4-ylidene]methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-[[2-(3-bromophenyl)-5-oxo-4-oxazolylidene]methyl]phenyl] ester IUPAC Name: [3-[[2-(3-bromophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-[[2-(3-bromophenyl)-5-keto-2-oxazolin-4-ylidene]methyl]phenyl] ester Formula: C23H13BrN2O6 MolecularWeight: 493.26312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C=C3C(=O)OC(=N3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC(=CC(=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C=C3C(=O)OC(=N3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C23H13BrN2O6/c24-17-7-2-5-15(12-17)21-25-20(23(28)32-21)11-14-4-1-9-19(10-14)31-22(27)16-6-3-8-18(13-16)26(29)30/h1-13H