(E)-but-2-enedioic acid; 1-methyl-4-(4-nitrophenoxy)-3-phenyl-piperidine

Systemtic Name: (E)-but-2-enedioic acid; 1-methyl-4-(4-nitrophenoxy)-3-phenyl-piperidine Openeye Name: fumaric acid; 1-methyl-4-(4-nitrophenoxy)-3-phenyl-piperidine CAS Name: (E)-2-butenedioic acid; 1-methyl-4-(4-nitrophenoxy)-3-phenylpiperidine IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-4-(4-nitrophenoxy)-3-phenylpiperidine Traditional Name: fumaric acid; 1-methyl-4-(4-nitrophenoxy)-3-phenyl-piperidine Formula: C22H24N2O7 MolecularWeight: 428.43516

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)C2=CC=CC=C2)OC3=CC=C(C=C3)[N+](=O)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(C(C1)C2=CC=CC=C2)OC3=CC=C(C=C3)[N+](=O)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H20N2O3.C4H4O4/c1-19-12-11-18(17(13-19)14-5-3-2-4-6-14)23-16-9-7-15(8-10-16)20(21)22;5-3(6)1-2-4(7)8/h2-10,17-18H,11-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+