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

Systemtic Name: tert-butyl 6-(3-bromanyl-5-cyano-1-methyl-pyrrol-2-yl)-4,4-dimethyl-2-oxidanylidene-3,1-benzoxazine-1-carboxylate Openeye Name: tert-butyl 6-(3-bromo-5-cyano-1-methyl-pyrrol-2-yl)-4,4-dimethyl-2-oxo-3,1-benzoxazine-1-carboxylate CAS Name: 6-(3-bromo-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-(3-bromo-5-cyano-1-methylpyrrol-2-yl)-4,4-dimethyl-2-oxo-3,1-benzoxazine-1-carboxylate Traditional Name: 6-(3-bromo-5-cyano-1-methyl-pyrrol-2-yl)-2-keto-4,4-dimethyl-3,1-benzoxazine-1-carboxylic acid tert-butyl ester Formula: C21H22BrN3O4 MolecularWeight: 460.32108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O4/c1-20(2,3)28-18(26)25-16-8-7-12(9-14(16)21(4,5)29-19(25)27)17-15(22)10-13(11-23)24(17)6/h7-10H,1-6H3