4-(5-methoxy-2-nitro-phenyl)-7-(2-nitrophenyl)-3a,4,5,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 4-(5-methoxy-2-nitro-phenyl)-7-(2-nitrophenyl)-3a,4,5,7a-tetrahydroisoindole-1,3-dione Openeye Name: 4-(5-methoxy-2-nitro-phenyl)-7-(2-nitrophenyl)-3a,4,5,7a-tetrahydroisoindole-1,3-dione CAS Name: 4-(5-methoxy-2-nitrophenyl)-7-(2-nitrophenyl)-3a,4,5,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 4-(5-methoxy-2-nitrophenyl)-7-(2-nitrophenyl)-3a,4,5,7a-tetrahydroisoindole-1,3-dione Traditional Name: 4-(5-methoxy-2-nitro-phenyl)-7-(2-nitrophenyl)-3a,4,5,7a-tetrahydroisoindole-1,3-quinone Formula: C21H17N3O7 MolecularWeight: 423.37558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)[N+](=O)[O-])C2CC=C(C3C2C(=O)NC3=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)[N+](=O)[O-])C2CC=C(C3C2C(=O)NC3=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O7/c1-31-11-6-9-17(24(29)30)15(10-11)14-8-7-13(18-19(14)21(26)22-20(18)25)12-4-2-3-5-16(12)23(27)28/h2-7,9-10,14,18-19H,8H2,1H3,(H,22,25,26)