3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-7-[[(2E)-2-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-(oxidanylamino)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-7-[[(2E)-2-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-(oxidanylamino)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(hydroxyamino)-2-(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(hydroxyamino)-2-(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)-1-oxoethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(hydroxyamino)-2-(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(hydroxyamino)-2-(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)acetyl]amino]-8-keto-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H16N8O8S2 MolecularWeight: 536.49844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=C4C=CC(=O)C(=C4)[N+](=O)[O-])NO)SC2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)/C(=C\4/C=CC(=O)C(=C4)[N+](=O)[O-])/NO)SC2)C(=O)O

InChI

InChI=1S/C18H16N8O8S2/c1-24-18(20-22-23-24)36-6-8-5-35-16-12(15(29)25(16)13(8)17(30)31)19-14(28)11(21-32)7-2-3-10(27)9(4-7)26(33)34/h2-4,12,16,21,32H,5-6H2,1H3,(H,19,28)(H,30,31)/b11-7+