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

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

Systemtic Name:(E)-but-2-enedioic acid; 4-(4-nitrophenoxy)-3-phenyl-piperidine
Openeye Name:fumaric acid; 4-(4-nitrophenoxy)-3-phenyl-piperidine
CAS Name:(E)-2-butenedioic acid; 4-(4-nitrophenoxy)-3-phenylpiperidine
IUPAC Name:(E)-but-2-enedioic acid; 4-(4-nitrophenoxy)-3-phenylpiperidine
Traditional Name:fumaric acid; 4-(4-nitrophenoxy)-3-phenyl-piperidine
Formula: C21H22N2O7
MolecularWeight: 414.40858
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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1OC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3.C(=CC(=O)O)C(=O)O


Isomeric SMILES

C1CNCC(C1OC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O


InChI

InChI=1S/C17H18N2O3.C4H4O4/c20-19(21)14-6-8-15(9-7-14)22-17-10-11-18-12-16(17)13-4-2-1-3-5-13;5-3(6)1-2-4(7)8/h1-9,16-18H,10-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+


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