ethyl 4-[[2-(4-chloranyl-3-nitro-phenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]benzoate

Systemtic Name: ethyl 4-[[2-(4-chloranyl-3-nitro-phenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]benzoate Openeye Name: ethyl 4-[[2-(4-chloro-3-nitro-phenyl)-5-oxo-oxazol-4-ylidene]methyl]benzoate CAS Name: 4-[[2-(4-chloro-3-nitrophenyl)-5-oxo-4-oxazolylidene]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate Traditional Name: 4-[[2-(4-chloro-3-nitro-phenyl)-5-keto-2-oxazolin-4-ylidene]methyl]benzoic acid ethyl ester Formula: C19H13ClN2O6 MolecularWeight: 400.76932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H13ClN2O6/c1-2-27-18(23)12-5-3-11(4-6-12)9-15-19(24)28-17(21-15)13-7-8-14(20)16(10-13)22(25)26/h3-10H,2H2,1H3