tert-butyl 2-cyano-5-(2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazin-6-yl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-cyano-5-(2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazin-6-yl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2-cyano-5-(2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazin-6-yl)pyrrole-1-carboxylate CAS Name: 2-cyano-5-(2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazin-6-yl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-5-(2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazin-6-yl)pyrrole-1-carboxylate Traditional Name: 2-cyano-5-(2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazin-6-yl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1NC2=C(C=C(C=C2)C3=CC=C(N3C(=O)OC(C)(C)C)C#N)C(O1)(C)C

Isomeric SMILES

CC1NC2=C(C=C(C=C2)C3=CC=C(N3C(=O)OC(C)(C)C)C#N)C(O1)(C)C

InChI

InChI=1S/C21H25N3O3/c1-13-23-17-9-7-14(11-16(17)21(5,6)26-13)18-10-8-15(12-22)24(18)19(25)27-20(2,3)4/h7-11,13,23H,1-6H3