(6R,7R)-7-[[4-chloranyl-6-(2-nitrophenoxy)-1,3,5-triazin-2-yl]amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[[4-chloranyl-6-(2-nitrophenoxy)-1,3,5-triazin-2-yl]amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[[4-chloro-6-(2-nitrophenoxy)-1,3,5-triazin-2-yl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[4-chloro-6-(2-nitrophenoxy)-1,3,5-triazin-2-yl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[4-chloro-6-(2-nitrophenoxy)-1,3,5-triazin-2-yl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[[4-chloro-6-(2-nitrophenoxy)-s-triazin-2-yl]amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H13ClN6O6S MolecularWeight: 464.83972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC3=NC(=NC(=N3)Cl)OC4=CC=CC=C4[N+](=O)[O-])SC1)C(=O)O

Isomeric SMILES

CC1=C(N2[C@@H]([C@@H](C2=O)NC3=NC(=NC(=N3)Cl)OC4=CC=CC=C4[N+](=O)[O-])SC1)C(=O)O

InChI

InChI=1S/C17H13ClN6O6S/c1-7-6-31-13-10(12(25)23(13)11(7)14(26)27)19-16-20-15(18)21-17(22-16)30-9-5-3-2-4-8(9)24(28)29/h2-5,10,13H,6H2,1H3,(H,26,27)(H,19,20,21,22)/t10-,13-/m1/s1