(E)-but-2-enedioic acid; 2-[3-(dimethylamino)propyl]-7-methoxy-1-oxidanylidene-isoquinoline-4-carbonitrile

Systemtic Name: (E)-but-2-enedioic acid; 2-[3-(dimethylamino)propyl]-7-methoxy-1-oxidanylidene-isoquinoline-4-carbonitrile Openeye Name: 2-[3-(dimethylamino)propyl]-7-methoxy-1-oxo-isoquinoline-4-carbonitrile; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[3-(dimethylamino)propyl]-7-methoxy-1-oxo-4-isoquinolinecarbonitrile IUPAC Name: (E)-but-2-enedioic acid; 2-[3-(dimethylamino)propyl]-7-methoxy-1-oxoisoquinoline-4-carbonitrile Traditional Name: 2-[3-(dimethylamino)propyl]-1-keto-7-methoxy-isoquinoline-4-carbonitrile; fumaric acid Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C=C(C2=C(C1=O)C=C(C=C2)OC)C#N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCCN1C=C(C2=C(C1=O)C=C(C=C2)OC)C#N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H19N3O2.C4H4O4/c1-18(2)7-4-8-19-11-12(10-17)14-6-5-13(21-3)9-15(14)16(19)20;5-3(6)1-2-4(7)8/h5-6,9,11H,4,7-8H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+