2-(4-morpholin-4-yl-3-nitro-phenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-(4-morpholin-4-yl-3-nitro-phenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-(4-morpholino-3-nitro-phenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-(4-morpholinyl)-3-nitrophenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-(4-morpholin-4-yl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-(4-morpholino-3-nitro-phenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)N3C(=O)C4CC=CCC4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)N3C(=O)C4CC=CCC4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5/c22-17-13-3-1-2-4-14(13)18(23)20(17)12-5-6-15(16(11-12)21(24)25)19-7-9-26-10-8-19/h1-2,5-6,11,13-14H,3-4,7-10H2