(Z)-but-2-enedioic acid; 3-[2-oxidanyl-3-(propan-2-ylamino)propoxy]benzenecarbonitrile

Systemtic Name: (Z)-but-2-enedioic acid; 3-[2-oxidanyl-3-(propan-2-ylamino)propoxy]benzenecarbonitrile Openeye Name: 3-[2-hydroxy-3-(isopropylamino)propoxy]benzonitrile; maleic acid CAS Name: (Z)-2-butenedioic acid; 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile IUPAC Name: (Z)-but-2-enedioic acid; 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile Traditional Name: 3-[2-hydroxy-3-(isopropylamino)propoxy]benzonitrile; maleic acid Formula: C17H22N2O6 MolecularWeight: 350.36638

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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)/b;2-1-