(E)-but-2-enedioic acid; 2-methylazepane

Systemtic Name: (E)-but-2-enedioic acid; 2-methylazepane Openeye Name: fumaric acid; 2-methylazepane CAS Name: (E)-2-butenedioic acid; 2-methylazepane IUPAC Name: (E)-but-2-enedioic acid; 2-methylazepane Traditional Name: fumaric acid; 2-methylazepane Formula: C11H19NO4 MolecularWeight: 229.27286

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCCN1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1CCCCCN1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C7H15N.C4H4O4/c1-7-5-3-2-4-6-8-7;5-3(6)1-2-4(7)8/h7-8H,2-6H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+