phenyl 3-[1-(2-methoxy-2-oxidanylidene-ethyl)-3-(4-nitrophenyl)-4-oxidanylidene-azetidin-2-yl]propanoate

Systemtic Name: phenyl 3-[1-(2-methoxy-2-oxidanylidene-ethyl)-3-(4-nitrophenyl)-4-oxidanylidene-azetidin-2-yl]propanoate Openeye Name: phenyl 3-[1-(2-methoxy-2-oxo-ethyl)-3-(4-nitrophenyl)-4-oxo-azetidin-2-yl]propanoate CAS Name: 3-[1-(2-methoxy-2-oxoethyl)-3-(4-nitrophenyl)-4-oxo-2-azetidinyl]propanoic acid phenyl ester IUPAC Name: phenyl 3-[1-(2-methoxy-2-oxoethyl)-3-(4-nitrophenyl)-4-oxoazetidin-2-yl]propanoate Traditional Name: 3-[4-keto-1-(2-keto-2-methoxy-ethyl)-3-(4-nitrophenyl)azetidin-2-yl]propionic acid phenyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(C(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])CCC(=O)OC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C(C(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])CCC(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O7/c1-29-19(25)13-22-17(11-12-18(24)30-16-5-3-2-4-6-16)20(21(22)26)14-7-9-15(10-8-14)23(27)28/h2-10,17,20H,11-13H2,1H3