(E)-but-2-enedioic acid; 2-[2-(propan-2-ylamino)ethoxy]benzenecarbonitrile

Systemtic Name: (E)-but-2-enedioic acid; 2-[2-(propan-2-ylamino)ethoxy]benzenecarbonitrile Openeye Name: fumaric acid; 2-[2-(isopropylamino)ethoxy]benzonitrile CAS Name: (E)-2-butenedioic acid; 2-[2-(propan-2-ylamino)ethoxy]benzonitrile IUPAC Name: (E)-but-2-enedioic acid; 2-[2-(propan-2-ylamino)ethoxy]benzonitrile Traditional Name: fumaric acid; 2-[2-(isopropylamino)ethoxy]benzonitrile Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCOC1=CC=CC=C1C#N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)NCCOC1=CC=CC=C1C#N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H16N2O.C4H4O4/c1-10(2)14-7-8-15-12-6-4-3-5-11(12)9-13;5-3(6)1-2-4(7)8/h3-6,10,14H,7-8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+