(Z)-but-2-enedioate; 8-chloranyl-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

Systemtic Name: (Z)-but-2-enedioate; 8-chloranyl-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Openeye Name: (Z)-but-2-enedioate; 8-chloro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine CAS Name: (Z)-2-butenedioate; 8-chloro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine IUPAC Name: (Z)-but-2-enedioate; 8-chloro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Traditional Name: (8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-methyl-amine maleate Formula: C15H16ClNO5-2 MolecularWeight: 325.74424

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Descriptors Computed from Structure

Canonical SMILES:

CNC1CCCOC2=C1C=CC(=C2)Cl.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CNC1CCCOC2=C1C=CC(=C2)Cl.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C11H14ClNO.C4H4O4/c1-13-10-3-2-6-14-11-7-8(12)4-5-9(10)11;5-3(6)1-2-4(7)8/h4-5,7,10,13H,2-3,6H2,1H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-