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

Systemtic Name: 2-[4-[3-(hydroxymethyl)piperidin-1-yl]-3-nitro-phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-[4-[3-(hydroxymethyl)-1-piperidyl]-3-nitro-phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-[4-[3-(hydroxymethyl)-1-piperidinyl]-3-nitrophenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-[4-[3-(hydroxymethyl)piperidin-1-yl]-3-nitrophenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-[4-(3-methylolpiperidino)-3-nitro-phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)N4CCCC(C4)CO)[N+](=O)[O-]

Isomeric SMILES

C1CCC2C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)N4CCCC(C4)CO)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5/c24-12-13-4-3-9-21(11-13)17-8-7-14(10-18(17)23(27)28)22-19(25)15-5-1-2-6-16(15)20(22)26/h7-8,10,13,15-16,24H,1-6,9,11-12H2