potassium 3,3-dimethyl-6-[(4-nitrophenyl)methoxycarbonylamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: potassium 3,3-dimethyl-6-[(4-nitrophenyl)methoxycarbonylamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: potassium 3,3-dimethyl-6-[(4-nitrophenyl)methoxycarbonylamino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: potassium 3,3-dimethyl-6-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: potassium 3,3-dimethyl-6-[(4-nitrophenyl)methoxycarbonylamino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: potassium 7-keto-3,3-dimethyl-6-[(4-nitrobenzyl)oxycarbonylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C16H16KN3O7S MolecularWeight: 433.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)[O-])C.[K+]

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)[O-])C.[K+]

InChI

InChI=1S/C16H17N3O7S.K/c1-16(2)11(14(21)22)18-12(20)10(13(18)27-16)17-15(23)26-7-8-3-5-9(6-4-8)19(24)25;/h3-6,10-11,13H,7H2,1-2H3,(H,17,23)(H,21,22);/q;+1/p-1