[(E,1S)-1-(5-bromanyl-2-oxidanyl-phenyl)-2,2-dimethyl-5-(oxidanylamino)-5-oxidanylidene-pent-3-enyl] N-phenylcarbamate

Systemtic Name: [(E,1S)-1-(5-bromanyl-2-oxidanyl-phenyl)-2,2-dimethyl-5-(oxidanylamino)-5-oxidanylidene-pent-3-enyl] N-phenylcarbamate Openeye Name: [(E,1S)-1-(5-bromo-2-hydroxy-phenyl)-5-(hydroxyamino)-2,2-dimethyl-5-oxo-pent-3-enyl] N-phenylcarbamate CAS Name: N-phenylcarbamic acid [(E,1S)-1-(5-bromo-2-hydroxyphenyl)-5-(hydroxyamino)-2,2-dimethyl-5-oxopent-3-enyl] ester IUPAC Name: [(E,1S)-1-(5-bromo-2-hydroxyphenyl)-5-(hydroxyamino)-2,2-dimethyl-5-oxopent-3-enyl] N-phenylcarbamate Traditional Name: N-phenylcarbamic acid [(E,1S)-1-(5-bromo-2-hydroxy-phenyl)-5-(hydroxyamino)-5-keto-2,2-dimethyl-pent-3-enyl] ester Formula: C20H21BrN2O5 MolecularWeight: 449.29514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=CC(=O)NO)C(C1=C(C=CC(=C1)Br)O)OC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)(/C=C/C(=O)NO)[C@@H](C1=C(C=CC(=C1)Br)O)OC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H21BrN2O5/c1-20(2,11-10-17(25)23-27)18(15-12-13(21)8-9-16(15)24)28-19(26)22-14-6-4-3-5-7-14/h3-12,18,24,27H,1-2H3,(H,22,26)(H,23,25)/b11-10+/t18-/m1/s1