tert-butyl (2E)-2-(7-chloranyl-2-oxidanylidene-3,4-dihydro-1H-1-benzazepin-5-ylidene)ethanoate

Systemtic Name: tert-butyl (2E)-2-(7-chloranyl-2-oxidanylidene-3,4-dihydro-1H-1-benzazepin-5-ylidene)ethanoate Openeye Name: tert-butyl (2E)-2-(7-chloro-2-oxo-3,4-dihydro-1H-1-benzazepin-5-ylidene)acetate CAS Name: (2E)-2-(7-chloro-2-oxo-3,4-dihydro-1H-1-benzazepin-5-ylidene)acetic acid tert-butyl ester IUPAC Name: tert-butyl (2E)-2-(7-chloro-2-oxo-3,4-dihydro-1H-1-benzazepin-5-ylidene)acetate Traditional Name: (2E)-2-(7-chloro-2-keto-3,4-dihydro-1H-1-benzazepin-5-ylidene)acetic acid tert-butyl ester Formula: C16H18ClNO3 MolecularWeight: 307.77202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=C1CCC(=O)NC2=C1C=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/1\CCC(=O)NC2=C1C=C(C=C2)Cl

InChI

InChI=1S/C16H18ClNO3/c1-16(2,3)21-15(20)8-10-4-7-14(19)18-13-6-5-11(17)9-12(10)13/h5-6,8-9H,4,7H2,1-3H3,(H,18,19)/b10-8+