(E)-but-2-enedioic acid; 2-methyl-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: (E)-but-2-enedioic acid; 2-methyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: fumaric acid; 2-methyl-1,4-dihydropyridine-3-carbonitrile CAS Name: (E)-2-butenedioic acid; 2-methyl-1,4-dihydropyridine-3-carbonitrile IUPAC Name: (E)-but-2-enedioic acid; 2-methyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: fumaric acid; 2-methyl-1,4-dihydropyridine-3-carbonitrile Formula: C11H12N2O4 MolecularWeight: 236.22398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC=CN1)C#N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(CC=CN1)C#N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C7H8N2.C4H4O4/c1-6-7(5-8)3-2-4-9-6;5-3(6)1-2-4(7)8/h2,4,9H,3H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+