3-(aminocarbonyloxymethyl)-7-[[(2Z)-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-(aminocarbonyloxymethyl)-7-[[(2Z)-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: 3-(carbamoyloxymethyl)-7-[[(2Z)-2-(hydroxyamino)-2-(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(carbamoyloxymethyl)-7-[[(2Z)-2-(hydroxyamino)-2-(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(carbamoyloxymethyl)-7-[[(2Z)-2-(hydroxyamino)-2-(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(carbamoyloxymethyl)-7-[[(2Z)-2-(hydroxyamino)-2-(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H15N5O10S MolecularWeight: 481.3935

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=C3C=CC(=O)C(=C3)[N+](=O)[O-])NO)C(=O)O)COC(=O)N

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=C/3\C=CC(=O)C(=C3)[N+](=O)[O-])/NO)C(=O)O)COC(=O)N

InChI

InChI=1S/C17H15N5O10S/c18-17(28)32-4-7-5-33-15-11(14(25)21(15)12(7)16(26)27)19-13(24)10(20-29)6-1-2-9(23)8(3-6)22(30)31/h1-3,11,15,20,29H,4-5H2,(H2,18,28)(H,19,24)(H,26,27)/b10-6-