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

Systemtic Name: [2-[[2-(4-tert-butylphenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] 4-nitrobenzoate Openeye Name: [2-[[2-(4-tert-butylphenyl)-5-oxo-oxazol-4-ylidene]methyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[[2-(4-tert-butylphenyl)-5-oxo-4-oxazolylidene]methyl]phenyl] ester IUPAC Name: [2-[[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[[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=CC=C3OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O2

InChI

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