7-[[(2E)-4-bromanyl-2-hydroxyimino-3-oxidanylidene-butanoyl]amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-4-bromanyl-2-hydroxyimino-3-oxidanylidene-butanoyl]amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-4-bromo-2-hydroxyimino-3-oxo-butanoyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-4-bromo-2-hydroxyimino-1,3-dioxobutyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-4-bromo-2-hydroxyimino-3-oxobutanoyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-4-bromo-2-hydroximino-3-keto-butanoyl]amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H12BrN3O6S MolecularWeight: 406.20918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)C(=NO)C(=O)CBr)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)/C(=N/O)/C(=O)CBr)SC1)C(=O)O

InChI

InChI=1S/C12H12BrN3O6S/c1-4-3-23-11-7(10(19)16(11)8(4)12(20)21)14-9(18)6(15-22)5(17)2-13/h7,11,22H,2-3H2,1H3,(H,14,18)(H,20,21)/b15-6+