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

Systemtic Name: (E)-but-2-enedioic acid; 2-[2-(dimethylamino)propyl]-1-oxidanylidene-isoquinoline-4-carbonitrile Openeye Name: 2-[2-(dimethylamino)propyl]-1-oxo-isoquinoline-4-carbonitrile; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[2-(dimethylamino)propyl]-1-oxo-4-isoquinolinecarbonitrile IUPAC Name: (E)-but-2-enedioic acid; 2-[2-(dimethylamino)propyl]-1-oxoisoquinoline-4-carbonitrile Traditional Name: 2-[2-(dimethylamino)propyl]-1-keto-isoquinoline-4-carbonitrile; fumaric acid Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C2=CC=CC=C2C1=O)C#N)N(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CN1C=C(C2=CC=CC=C2C1=O)C#N)N(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H17N3O.C4H4O4/c1-11(17(2)3)9-18-10-12(8-16)13-6-4-5-7-14(13)15(18)19;5-3(6)1-2-4(7)8/h4-7,10-11H,9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+