ethyl (3E)-3-(4-nitrophenyl)-3-[3-(4-nitrophenyl)-5-oxidanylidene-1,2-oxazol-4-ylidene]propanoate

Systemtic Name: ethyl (3E)-3-(4-nitrophenyl)-3-[3-(4-nitrophenyl)-5-oxidanylidene-1,2-oxazol-4-ylidene]propanoate Openeye Name: ethyl (3E)-3-(4-nitrophenyl)-3-[3-(4-nitrophenyl)-5-oxo-isoxazol-4-ylidene]propanoate CAS Name: (3E)-3-(4-nitrophenyl)-3-[3-(4-nitrophenyl)-5-oxo-4-isoxazolylidene]propanoic acid ethyl ester IUPAC Name: ethyl (3E)-3-(4-nitrophenyl)-3-[3-(4-nitrophenyl)-5-oxo-1,2-oxazol-4-ylidene]propanoate Traditional Name: (3E)-3-[5-keto-3-(4-nitrophenyl)-2-isoxazolin-4-ylidene]-3-(4-nitrophenyl)propionic acid ethyl ester Formula: C20H15N3O8 MolecularWeight: 425.3484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=C1C(=NOC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C/C(=C\1/C(=NOC1=O)C2=CC=C(C=C2)[N+](=O)[O-])/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O8/c1-2-30-17(24)11-16(12-3-7-14(8-4-12)22(26)27)18-19(21-31-20(18)25)13-5-9-15(10-6-13)23(28)29/h3-10H,2,11H2,1H3/b18-16+