3-methyl-7-(2-nitroethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-methyl-7-(2-nitroethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-methyl-7-[(2-nitroacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-methyl-7-[(2-nitro-1-oxoethyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-methyl-7-[(2-nitroacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-methyl-7-[(2-nitroacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C10H11N3O6S MolecularWeight: 301.27584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)C[N+](=O)[O-])SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)C[N+](=O)[O-])SC1)C(=O)O

InChI

InChI=1S/C10H11N3O6S/c1-4-3-20-9-6(11-5(14)2-12(18)19)8(15)13(9)7(4)10(16)17/h6,9H,2-3H2,1H3,(H,11,14)(H,16,17)