(E)-but-2-enedioic acid; 2-(2-diethylaminoethyl)-1-oxidanylidene-isoquinoline-4-carbonitrile

Systemtic Name: (E)-but-2-enedioic acid; 2-(2-diethylaminoethyl)-1-oxidanylidene-isoquinoline-4-carbonitrile Openeye Name: 2-(2-diethylaminoethyl)-1-oxo-isoquinoline-4-carbonitrile; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(2-diethylaminoethyl)-1-oxo-4-isoquinolinecarbonitrile IUPAC Name: (E)-but-2-enedioic acid; 2-(2-diethylaminoethyl)-1-oxoisoquinoline-4-carbonitrile Traditional Name: 2-(2-diethylaminoethyl)-1-keto-isoquinoline-4-carbonitrile; fumaric acid Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C=C(C2=CC=CC=C2C1=O)C#N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)CCN1C=C(C2=CC=CC=C2C1=O)C#N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H19N3O.C4H4O4/c1-3-18(4-2)9-10-19-12-13(11-17)14-7-5-6-8-15(14)16(19)20;5-3(6)1-2-4(7)8/h5-8,12H,3-4,9-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+