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

Systemtic Name: [4-[(E)-(5-oxidanylidene-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-(5-oxo-2-phenyl-oxazol-4-ylidene)methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(E)-(5-oxo-2-phenyl-4-oxazolylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-(5-keto-2-phenyl-2-oxazolin-4-ylidene)methyl]phenyl] ester Formula: C23H14N2O6 MolecularWeight: 414.36706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O2

Isomeric SMILES

C1=CC=C(C=C1)C2=N/C(=C/C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])/C(=O)O2

InChI

InChI=1S/C23H14N2O6/c26-22(17-7-4-8-18(14-17)25(28)29)30-19-11-9-15(10-12-19)13-20-23(27)31-21(24-20)16-5-2-1-3-6-16/h1-14H/b20-13+