7-[[2-azanyl-2-(4-nitrophenyl)ethanoyl]amino]-3-[[5-(carboxymethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[2-azanyl-2-(4-nitrophenyl)ethanoyl]amino]-3-[[5-(carboxymethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-amino-2-(4-nitrophenyl)acetyl]amino]-3-[[5-(carboxymethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-amino-2-(4-nitrophenyl)-1-oxoethyl]amino]-3-[[[5-(carboxymethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-amino-2-(4-nitrophenyl)acetyl]amino]-3-[[5-(carboxymethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-amino-2-(4-nitrophenyl)acetyl]amino]-3-[[[5-(carboxymethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H19N7O8S2 MolecularWeight: 549.53696

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)[N+](=O)[O-])N)C(=O)O)CSC4=NNC(=N4)CC(=O)O

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)[N+](=O)[O-])N)C(=O)O)CSC4=NNC(=N4)CC(=O)O

InChI

InChI=1S/C20H19N7O8S2/c21-13(8-1-3-10(4-2-8)27(34)35)16(30)23-14-17(31)26-15(19(32)33)9(6-36-18(14)26)7-37-20-22-11(24-25-20)5-12(28)29/h1-4,13-14,18H,5-7,21H2,(H,23,30)(H,28,29)(H,32,33)(H,22,24,25)