2-[(E)-[2-(2-bromophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]-6-nitro-phenolate

Systemtic Name: 2-[(E)-[2-(2-bromophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]-6-nitro-phenolate Openeye Name: 2-[(E)-[2-(2-bromophenyl)-5-oxo-oxazol-4-ylidene]methyl]-6-nitro-phenolate CAS Name: 2-[(E)-[2-(2-bromophenyl)-5-oxo-4-oxazolylidene]methyl]-6-nitrophenolate IUPAC Name: 2-[(E)-[2-(2-bromophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-6-nitrophenolate Traditional Name: 2-[(E)-[2-(2-bromophenyl)-5-keto-2-oxazolin-4-ylidene]methyl]-6-nitro-phenolate Formula: C16H8BrN2O5- MolecularWeight: 388.14912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=CC3=C(C(=CC=C3)[N+](=O)[O-])[O-])C(=O)O2)Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=N/C(=C/C3=C(C(=CC=C3)[N+](=O)[O-])[O-])/C(=O)O2)Br

InChI

InChI=1S/C16H9BrN2O5/c17-11-6-2-1-5-10(11)15-18-12(16(21)24-15)8-9-4-3-7-13(14(9)20)19(22)23/h1-8,20H/p-1/b12-8+