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

Systemtic Name: ethyl 3-nitro-4-(3-oxidanylidene-5-phenyl-1,2-oxazol-2-yl)benzoate Openeye Name: ethyl 3-nitro-4-(3-oxo-5-phenyl-isoxazol-2-yl)benzoate CAS Name: 3-nitro-4-(3-oxo-5-phenyl-2-isoxazolyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-4-(3-oxo-5-phenyl-1,2-oxazol-2-yl)benzoate Traditional Name: 4-(3-keto-5-phenyl-4-isoxazolin-2-yl)-3-nitro-benzoic acid ethyl ester Formula: C18H14N2O6 MolecularWeight: 354.31356

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O6/c1-2-25-18(22)13-8-9-14(15(10-13)20(23)24)19-17(21)11-16(26-19)12-6-4-3-5-7-12/h3-11H,2H2,1H3