(6aR)-3-(3,4-dimethoxyphenyl)-5-(2-methyl-3-nitro-phenyl)-2,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione

Systemtic Name: (6aR)-3-(3,4-dimethoxyphenyl)-5-(2-methyl-3-nitro-phenyl)-2,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione Openeye Name: (6aR)-3-(3,4-dimethoxyphenyl)-5-(2-methyl-3-nitro-phenyl)-2,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione CAS Name: (6aR)-3-(3,4-dimethoxyphenyl)-5-(2-methyl-3-nitrophenyl)-2,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione IUPAC Name: (6aR)-3-(3,4-dimethoxyphenyl)-5-(2-methyl-3-nitrophenyl)-2,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione Traditional Name: (6aR)-3-(3,4-dimethoxyphenyl)-5-(2-methyl-3-nitro-phenyl)-2,6a-dihydropyrrol[3,4-d]isoxazole-4,6-quinone Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])N2C(=O)C3C(=C(NO3)C4=CC(=C(C=C4)OC)OC)C2=O

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])N2C(=O)[C@H]3C(=C(NO3)C4=CC(=C(C=C4)OC)OC)C2=O

InChI

InChI=1S/C20H17N3O7/c1-10-12(5-4-6-13(10)23(26)27)22-19(24)16-17(21-30-18(16)20(22)25)11-7-8-14(28-2)15(9-11)29-3/h4-9,18,21H,1-3H3/t18-/m1/s1