6-(1-hydroxyethyl)-3-(3-nitrophenoxy)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-3-(3-nitrophenoxy)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-3-(3-nitrophenoxy)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-3-(3-nitrophenoxy)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-3-(3-nitrophenoxy)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-(3-nitrophenoxy)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C14H12N2O7S MolecularWeight: 352.31928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)OC3=CC=CC(=C3)[N+](=O)[O-])C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)OC3=CC=CC(=C3)[N+](=O)[O-])C(=O)O)O

InChI

InChI=1S/C14H12N2O7S/c1-6(17)9-11(18)15-10(13(19)20)14(24-12(9)15)23-8-4-2-3-7(5-8)16(21)22/h2-6,9,12,17H,1H3,(H,19,20)