(E)-but-2-enedioate; 4-methyl-2-[2-(methylamino)ethyl]-2,3-dihydro-1,4-benzoxazepin-5-one

Systemtic Name: (E)-but-2-enedioate; 4-methyl-2-[2-(methylamino)ethyl]-2,3-dihydro-1,4-benzoxazepin-5-one Openeye Name: (E)-but-2-enedioate; 4-methyl-2-[2-(methylamino)ethyl]-2,3-dihydro-1,4-benzoxazepin-5-one CAS Name: (E)-2-butenedioate; 4-methyl-2-[2-(methylamino)ethyl]-2,3-dihydro-1,4-benzoxazepin-5-one IUPAC Name: (E)-but-2-enedioate; 4-methyl-2-[2-(methylamino)ethyl]-2,3-dihydro-1,4-benzoxazepin-5-one Traditional Name: 4-methyl-2-[2-(methylamino)ethyl]-2,3-dihydro-1,4-benzoxazepin-5-one fumarate Formula: C17H20N2O6-2 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC1CN(C(=O)C2=CC=CC=C2O1)C.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CNCCC1CN(C(=O)C2=CC=CC=C2O1)C.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C13H18N2O2.C4H4O4/c1-14-8-7-10-9-15(2)13(16)11-5-3-4-6-12(11)17-10;5-3(6)1-2-4(7)8/h3-6,10,14H,7-9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+