ethyl 4-[(6aR)-3-(4-chlorophenyl)-4,6-bis(oxidanylidene)-2,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate

Systemtic Name: ethyl 4-[(6aR)-3-(4-chlorophenyl)-4,6-bis(oxidanylidene)-2,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate Openeye Name: ethyl 4-[(6aR)-3-(4-chlorophenyl)-4,6-dioxo-2,6a-dihydropyrrolo[3,4-d]isoxazol-5-yl]benzoate CAS Name: 4-[(6aR)-3-(4-chlorophenyl)-4,6-dioxo-2,6a-dihydropyrrolo[3,4-d]isoxazol-5-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6aR)-3-(4-chlorophenyl)-4,6-dioxo-2,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate Traditional Name: 4-[(6aR)-3-(4-chlorophenyl)-4,6-diketo-2,6a-dihydropyrrol[3,4-d]isoxazol-5-yl]benzoic acid ethyl ester Formula: C20H15ClN2O5 MolecularWeight: 398.7965

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(=C(NO3)C4=CC=C(C=C4)Cl)C2=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3C(=C(NO3)C4=CC=C(C=C4)Cl)C2=O

InChI

InChI=1S/C20H15ClN2O5/c1-2-27-20(26)12-5-9-14(10-6-12)23-18(24)15-16(22-28-17(15)19(23)25)11-3-7-13(21)8-4-11/h3-10,17,22H,2H2,1H3/t17-/m1/s1