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

Systemtic Name: [4-[[3-(4-chlorophenyl)-5-oxidanylidene-1,2-oxazol-4-ylidene]methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[[3-(4-chlorophenyl)-5-oxo-isoxazol-4-ylidene]methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[[3-(4-chlorophenyl)-5-oxo-4-isoxazolylidene]methyl]phenyl] ester IUPAC Name: [4-[[3-(4-chlorophenyl)-5-oxo-1,2-oxazol-4-ylidene]methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[[3-(4-chlorophenyl)-5-keto-2-isoxazolin-4-ylidene]methyl]phenyl] ester Formula: C23H13ClN2O6 MolecularWeight: 448.81212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C=C3C(=NOC3=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C=C3C(=NOC3=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H13ClN2O6/c24-17-8-6-15(7-9-17)21-20(23(28)32-25-21)12-14-4-10-19(11-5-14)31-22(27)16-2-1-3-18(13-16)26(29)30/h1-13H