2-[3-nitro-4-(4-oxidanylpiperidin-1-yl)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 2-[3-nitro-4-(4-oxidanylpiperidin-1-yl)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-[4-(4-hydroxy-1-piperidyl)-3-nitro-phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-[4-(4-hydroxy-1-piperidinyl)-3-nitrophenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-[4-(4-hydroxypiperidin-1-yl)-3-nitrophenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-[4-(4-hydroxypiperidino)-3-nitro-phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)N4CCC(CC4)O)[N+](=O)[O-]

Isomeric SMILES

C1CCC2C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)N4CCC(CC4)O)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O5/c23-13-7-9-20(10-8-13)16-6-5-12(11-17(16)22(26)27)21-18(24)14-3-1-2-4-15(14)19(21)25/h5-6,11,13-15,23H,1-4,7-10H2