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

Systemtic Name: 3,3-dimethyl-6-[(4-nitrophenyl)methoxycarbonylamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 3,3-dimethyl-6-[(4-nitrophenyl)methoxycarbonylamino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 3,3-dimethyl-6-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 3,3-dimethyl-6-[(4-nitrophenyl)methoxycarbonylamino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 7-keto-3,3-dimethyl-6-[(4-nitrobenzyl)oxycarbonylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C16H17N3O7S MolecularWeight: 395.38708

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O7S/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)