tert-butyl 6-(5-cyano-1-methyl-pyrrol-2-yl)-4,4-dimethyl-2-oxidanylidene-3,1-benzoxazine-1-carboxylate

Systemtic Name: tert-butyl 6-(5-cyano-1-methyl-pyrrol-2-yl)-4,4-dimethyl-2-oxidanylidene-3,1-benzoxazine-1-carboxylate Openeye Name: tert-butyl 6-(5-cyano-1-methyl-pyrrol-2-yl)-4,4-dimethyl-2-oxo-3,1-benzoxazine-1-carboxylate CAS Name: 6-(5-cyano-1-methyl-2-pyrrolyl)-4,4-dimethyl-2-oxo-3,1-benzoxazine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-(5-cyano-1-methylpyrrol-2-yl)-4,4-dimethyl-2-oxo-3,1-benzoxazine-1-carboxylate Traditional Name: 6-(5-cyano-1-methyl-pyrrol-2-yl)-2-keto-4,4-dimethyl-3,1-benzoxazine-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)C#N)N(C(=O)O1)C(=O)OC(C)(C)C)C

Isomeric SMILES

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

InChI

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