ethyl 4-[4-(chloromethyl)-3-oxidanylidene-5-phenyl-1,2-oxazol-2-yl]-3-nitro-benzoate

Systemtic Name: ethyl 4-[4-(chloromethyl)-3-oxidanylidene-5-phenyl-1,2-oxazol-2-yl]-3-nitro-benzoate Openeye Name: ethyl 4-[4-(chloromethyl)-3-oxo-5-phenyl-isoxazol-2-yl]-3-nitro-benzoate CAS Name: 4-[4-(chloromethyl)-3-oxo-5-phenyl-2-isoxazolyl]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(chloromethyl)-3-oxo-5-phenyl-1,2-oxazol-2-yl]-3-nitrobenzoate Traditional Name: 4-[4-(chloromethyl)-3-keto-5-phenyl-4-isoxazolin-2-yl]-3-nitro-benzoic acid ethyl ester Formula: C19H15ClN2O6 MolecularWeight: 402.7852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2C(=O)C(=C(O2)C3=CC=CC=C3)CCl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2C(=O)C(=C(O2)C3=CC=CC=C3)CCl)[N+](=O)[O-]

InChI

InChI=1S/C19H15ClN2O6/c1-2-27-19(24)13-8-9-15(16(10-13)22(25)26)21-18(23)14(11-20)17(28-21)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3