tert-butyl 2-cyano-5-(5-methyl-2-oxidanylidene-1,5-dihydro-4,1-benzoxazepin-7-yl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-cyano-5-(5-methyl-2-oxidanylidene-1,5-dihydro-4,1-benzoxazepin-7-yl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2-cyano-5-(5-methyl-2-oxo-1,5-dihydro-4,1-benzoxazepin-7-yl)pyrrole-1-carboxylate CAS Name: 2-cyano-5-(5-methyl-2-oxo-1,5-dihydro-4,1-benzoxazepin-7-yl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-5-(5-methyl-2-oxo-1,5-dihydro-4,1-benzoxazepin-7-yl)pyrrole-1-carboxylate Traditional Name: 2-cyano-5-(2-keto-5-methyl-1,5-dihydro-4,1-benzoxazepin-7-yl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)C3=CC=C(N3C(=O)OC(C)(C)C)C#N)NC(=O)CO1

Isomeric SMILES

CC1C2=C(C=CC(=C2)C3=CC=C(N3C(=O)OC(C)(C)C)C#N)NC(=O)CO1

InChI

InChI=1S/C20H21N3O4/c1-12-15-9-13(5-7-16(15)22-18(24)11-26-12)17-8-6-14(10-21)23(17)19(25)27-20(2,3)4/h5-9,12H,11H2,1-4H3,(H,22,24)