(Z)-2-(2,3,5a,9a-tetrahydro-1H-3-benzazepin-5-yl)but-2-enedioate

Systemtic Name: (Z)-2-(2,3,5a,9a-tetrahydro-1H-3-benzazepin-5-yl)but-2-enedioate Openeye Name: (Z)-2-(2,3,5a,9a-tetrahydro-1H-3-benzazepin-5-yl)but-2-enedioate CAS Name: (Z)-2-(2,3,5a,9a-tetrahydro-1H-3-benzazepin-5-yl)-2-butenedioate IUPAC Name: (Z)-2-(2,3,5a,9a-tetrahydro-1H-3-benzazepin-5-yl)but-2-enedioate Traditional Name: (Z)-2-(2,3,5a,9a-tetrahydro-1H-3-benzazepin-5-yl)but-2-enedioate Formula: C14H13NO4-2 MolecularWeight: 259.25732

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC=C(C2C1C=CC=C2)C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CNC=C(C2C1C=CC=C2)/C(=C/C(=O)[O-])/C(=O)[O-]

InChI

InChI=1S/C14H15NO4/c16-13(17)7-11(14(18)19)12-8-15-6-5-9-3-1-2-4-10(9)12/h1-4,7-10,15H,5-6H2,(H,16,17)(H,18,19)/p-2/b11-7-