tert-butyl N-[[(E)-(3-bromanyl-5-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamate

Systemtic Name: tert-butyl N-[[(E)-(3-bromanyl-5-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamate Openeye Name: tert-butyl N-[[(E)-(3-bromo-5-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamate CAS Name: N-[[(E)-(3-bromo-5-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[(E)-(3-bromo-5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamate Traditional Name: N-[[(E)-(3-bromo-6-keto-5-methyl-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamic acid tert-butyl ester Formula: C13H17BrN2O3 MolecularWeight: 329.18968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=CNNC(=O)OC(C)(C)C)C1=O)Br

Isomeric SMILES

CC1=CC(=C/C(=C\NNC(=O)OC(C)(C)C)/C1=O)Br

InChI

InChI=1S/C13H17BrN2O3/c1-8-5-10(14)6-9(11(8)17)7-15-16-12(18)19-13(2,3)4/h5-7,15H,1-4H3,(H,16,18)/b9-7+