[4-[(6aR)-3-(2,3-dimethoxyphenyl)-4,6-bis(oxidanylidene)-2,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] ethanoate

Systemtic Name: [4-[(6aR)-3-(2,3-dimethoxyphenyl)-4,6-bis(oxidanylidene)-2,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] ethanoate Openeye Name: [4-[(6aR)-3-(2,3-dimethoxyphenyl)-4,6-dioxo-2,6a-dihydropyrrolo[3,4-d]isoxazol-5-yl]phenyl] acetate CAS Name: acetic acid [4-[(6aR)-3-(2,3-dimethoxyphenyl)-4,6-dioxo-2,6a-dihydropyrrolo[3,4-d]isoxazol-5-yl]phenyl] ester IUPAC Name: [4-[(6aR)-3-(2,3-dimethoxyphenyl)-4,6-dioxo-2,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate Traditional Name: acetic acid [4-[(6aR)-3-(2,3-dimethoxyphenyl)-4,6-diketo-2,6a-dihydropyrrol[3,4-d]isoxazol-5-yl]phenyl] ester Formula: C21H18N2O7 MolecularWeight: 410.37682

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C(=C(NO3)C4=C(C(=CC=C4)OC)OC)C2=O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)N2C(=O)[C@H]3C(=C(NO3)C4=C(C(=CC=C4)OC)OC)C2=O

InChI

InChI=1S/C21H18N2O7/c1-11(24)29-13-9-7-12(8-10-13)23-20(25)16-17(22-30-19(16)21(23)26)14-5-4-6-15(27-2)18(14)28-3/h4-10,19,22H,1-3H3/t19-/m1/s1