tert-butyl 2-cyano-5-[5-(furan-2-yl)-5-methyl-2-oxidanylidene-1H-4,1-benzoxazepin-7-yl]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-cyano-5-[5-(furan-2-yl)-5-methyl-2-oxidanylidene-1H-4,1-benzoxazepin-7-yl]pyrrole-1-carboxylate Openeye Name: tert-butyl 2-cyano-5-[5-(2-furyl)-5-methyl-2-oxo-1H-4,1-benzoxazepin-7-yl]pyrrole-1-carboxylate CAS Name: 2-cyano-5-[5-(2-furanyl)-5-methyl-2-oxo-1H-4,1-benzoxazepin-7-yl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-5-[5-(furan-2-yl)-5-methyl-2-oxo-1H-4,1-benzoxazepin-7-yl]pyrrole-1-carboxylate Traditional Name: 2-cyano-5-[5-(2-furyl)-2-keto-5-methyl-1H-4,1-benzoxazepin-7-yl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C24H23N3O5 MolecularWeight: 433.45652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC=C(N3C(=O)OC(C)(C)C)C#N)NC(=O)CO1)C4=CC=CO4

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=C(N3C(=O)OC(C)(C)C)C#N)NC(=O)CO1)C4=CC=CO4

InChI

InChI=1S/C24H23N3O5/c1-23(2,3)32-22(29)27-16(13-25)8-10-19(27)15-7-9-18-17(12-15)24(4,20-6-5-11-30-20)31-14-21(28)26-18/h5-12H,14H2,1-4H3,(H,26,28)