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

Systemtic Name: 6-[2-[2-[ethanoyl(nitro)amino]phenyl]ethanoylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[[2-[2-[acetyl(nitro)amino]phenyl]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[[2-[2-[acetyl(nitro)amino]phenyl]-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[[2-[2-[acetyl(nitro)amino]phenyl]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[[2-[2-[acetyl(nitro)amino]phenyl]acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C18H20N4O7S MolecularWeight: 436.439

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC=C1CC(=O)NC2C3N(C2=O)C(C(S3)(C)C)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N(C1=CC=CC=C1CC(=O)NC2C3N(C2=O)C(C(S3)(C)C)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O7S/c1-9(23)21(22(28)29)11-7-5-4-6-10(11)8-12(24)19-13-15(25)20-14(17(26)27)18(2,3)30-16(13)20/h4-7,13-14,16H,8H2,1-3H3,(H,19,24)(H,26,27)