3-ethoxycarbonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-ethoxycarbonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(tert-butoxycarbonylamino)-3-ethoxycarbonyl-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-ethoxycarbonyl-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-ethoxycarbonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-(tert-butoxycarbonylamino)-3-carbethoxy-8-keto-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H22N2O7 MolecularWeight: 354.35508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(CC1)C(C2=O)NC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(N2C(CC1)C(C2=O)NC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C16H22N2O7/c1-5-24-14(22)8-6-7-9-10(17-15(23)25-16(2,3)4)12(19)18(9)11(8)13(20)21/h9-10H,5-7H2,1-4H3,(H,17,23)(H,20,21)