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(E)-but-2-enedioate; 3-[2-oxidanyl-3-(propan-2-ylamino)propoxy]benzenecarbonitrile

(E)-but-2-enedioate; 3-[2-oxidanyl-3-(propan-2-ylamino)propoxy]benzenecarbonitrile

Systemtic Name:(E)-but-2-enedioate; 3-[2-oxidanyl-3-(propan-2-ylamino)propoxy]benzenecarbonitrile
Openeye Name:(E)-but-2-enedioate; 3-[2-hydroxy-3-(isopropylamino)propoxy]benzonitrile
CAS Name:(E)-2-butenedioate; 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile
IUPAC Name:(E)-but-2-enedioate; 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile
Traditional Name:3-[2-hydroxy-3-(isopropylamino)propoxy]benzonitrile fumarate
Formula: C17H20N2O6-2
MolecularWeight: 348.3505
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=CC(=C1)C#N)O.C(=CC(=O)[O-])C(=O)[O-]


Isomeric SMILES

CC(C)NCC(COC1=CC=CC(=C1)C#N)O.C(=C/C(=O)[O-])\C(=O)[O-]


InChI

InChI=1S/C13H18N2O2.C4H4O4/c1-10(2)15-8-12(16)9-17-13-5-3-4-11(6-13)7-14;5-3(6)1-2-4(7)8/h3-6,10,12,15-16H,8-9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+


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