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

Systemtic Name: [4-[[2-(4-tert-butylphenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[[2-(4-tert-butylphenyl)-5-oxo-oxazol-4-ylidene]methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[[2-(4-tert-butylphenyl)-5-oxo-4-oxazolylidene]methyl]phenyl] ester IUPAC Name: [4-[[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[[2-(4-tert-butylphenyl)-5-keto-2-oxazolin-4-ylidene]methyl]phenyl] ester Formula: C27H22N2O6 MolecularWeight: 470.47338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)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

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

InChI

InChI=1S/C27H22N2O6/c1-27(2,3)20-11-9-18(10-12-20)24-28-23(26(31)35-24)15-17-7-13-22(14-8-17)34-25(30)19-5-4-6-21(16-19)29(32)33/h4-16H,1-3H3