3-(2-bromanylethanoyl)-5-(2-methylhex-5-en-2-yloxycarbonylamino)-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(2-bromanylethanoyl)-5-(2-methylhex-5-en-2-yloxycarbonylamino)-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(2-bromoacetyl)-5-(1,1-dimethylpent-4-enoxycarbonylamino)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(2-bromo-1-oxoethyl)-5-[[2-methylhex-5-en-2-yloxy(oxo)methyl]amino]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(2-bromoacetyl)-5-(2-methylhex-5-en-2-yloxycarbonylamino)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(2-bromoacetyl)-5-(1,1-dimethylpent-4-enoxycarbonylamino)-8-keto-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H23BrN2O6 MolecularWeight: 443.28902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC=C)OC(=O)NC1CC(=C(N2C1CC2=O)C(=O)O)C(=O)CBr

Isomeric SMILES

CC(C)(CCC=C)OC(=O)NC1CC(=C(N2C1CC2=O)C(=O)O)C(=O)CBr

InChI

InChI=1S/C18H23BrN2O6/c1-4-5-6-18(2,3)27-17(26)20-11-7-10(13(22)9-19)15(16(24)25)21-12(11)8-14(21)23/h4,11-12H,1,5-9H2,2-3H3,(H,20,26)(H,24,25)