3-(1-azanylethyl)azepan-2-one; (E)-but-2-enedioic acid

Systemtic Name: 3-(1-azanylethyl)azepan-2-one; (E)-but-2-enedioic acid Openeye Name: 3-(1-aminoethyl)azepan-2-one; fumaric acid CAS Name: 3-(1-aminoethyl)-2-azepanone; (E)-2-butenedioic acid IUPAC Name: 3-(1-aminoethyl)azepan-2-one; (E)-but-2-enedioic acid Traditional Name: 3-(1-aminoethyl)azepan-2-one; fumaric acid Formula: C12H20N2O5 MolecularWeight: 272.2976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCNC1=O)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C1CCCCNC1=O)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H16N2O.C4H4O4/c1-6(9)7-4-2-3-5-10-8(7)11;5-3(6)1-2-4(7)8/h6-7H,2-5,9H2,1H3,(H,10,11);1-2H,(H,5,6)(H,7,8)/b;2-1+