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

Systemtic Name: tert-butyl 2-cyano-5-(1,4,4-trimethyl-2-oxidanylidene-3,1-benzoxazin-6-yl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2-cyano-5-(1,4,4-trimethyl-2-oxo-3,1-benzoxazin-6-yl)pyrrole-1-carboxylate CAS Name: 2-cyano-5-(1,4,4-trimethyl-2-oxo-3,1-benzoxazin-6-yl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-5-(1,4,4-trimethyl-2-oxo-3,1-benzoxazin-6-yl)pyrrole-1-carboxylate Traditional Name: 2-cyano-5-(2-keto-1,4,4-trimethyl-3,1-benzoxazin-6-yl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC=C(N3C(=O)OC(C)(C)C)C#N)N(C(=O)O1)C)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=C(N3C(=O)OC(C)(C)C)C#N)N(C(=O)O1)C)C

InChI

InChI=1S/C21H23N3O4/c1-20(2,3)27-19(26)24-14(12-22)8-10-16(24)13-7-9-17-15(11-13)21(4,5)28-18(25)23(17)6/h7-11H,1-6H3