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

Systemtic Name: 3,3-dimethyl-6-[2-[(4-nitrophenyl)amino]ethanoylamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 3,3-dimethyl-6-[[2-(4-nitroanilino)acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 3,3-dimethyl-6-[[2-(4-nitroanilino)-1-oxoethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 3,3-dimethyl-6-[[2-(4-nitroanilino)acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 7-keto-3,3-dimethyl-6-[[2-(4-nitroanilino)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C16H18N4O6S MolecularWeight: 394.40232

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)CNC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)CNC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C16H18N4O6S/c1-16(2)12(15(23)24)19-13(22)11(14(19)27-16)18-10(21)7-17-8-3-5-9(6-4-8)20(25)26/h3-6,11-12,14,17H,7H2,1-2H3,(H,18,21)(H,23,24)