6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethylazanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethylazanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethylammonium; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethylammonium; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethylazanium; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethylammonium; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(NC3=CC=CC=C31)C[NH3+].C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C(NC3=CC=CC=C31)C[NH3+].C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C15H16N2.C4H4O4/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)17-15;5-3(6)1-2-4(7)8/h1-8,15,17H,9-10,16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+