(6R,7R)-3-(acetyloxymethyl)-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: (6R,7R)-3-(acetyloxymethyl)-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: (6R,7R)-3-(acetoxymethyl)-7-[[(2E)-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: (6R,7R)-3-(acetyloxymethyl)-7-[[(2E)-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: (6R,7R)-3-(acetyloxymethyl)-7-[[(2E)-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: (6R,7R)-3-(acetoxymethyl)-7-[[(2E)-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: C18H16N4O10S MolecularWeight: 480.40544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=C3C=CC(=O)C(=C3)[N+](=O)[O-])NO)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=C\3/C=CC(=O)C(=C3)[N+](=O)[O-])/NO)SC1)C(=O)O

InChI

InChI=1S/C18H16N4O10S/c1-7(23)32-5-9-6-33-17-13(16(26)21(17)14(9)18(27)28)19-15(25)12(20-29)8-2-3-11(24)10(4-8)22(30)31/h2-4,13,17,20,29H,5-6H2,1H3,(H,19,25)(H,27,28)/b12-8+/t13-,17-/m1/s1