3-ethanoyl-6-[(4-methylphenyl)carbonylamino]-7-oxidanylidene-1,3-diazabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 3-ethanoyl-6-[(4-methylphenyl)carbonylamino]-7-oxidanylidene-1,3-diazabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 3-acetyl-6-[(4-methylbenzoyl)amino]-7-oxo-1,3-diazabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 3-acetyl-6-[[(4-methylphenyl)-oxomethyl]amino]-7-oxo-1,3-diazabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 3-acetyl-6-[(4-methylbenzoyl)amino]-7-oxo-1,3-diazabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 3-acetyl-7-keto-6-(p-toluoylamino)-1,3-diazabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2C3CN(C(N3C2=O)C(=O)O)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2C3CN(C(N3C2=O)C(=O)O)C(=O)C

InChI

InChI=1S/C16H17N3O5/c1-8-3-5-10(6-4-8)13(21)17-12-11-7-18(9(2)20)14(16(23)24)19(11)15(12)22/h3-6,11-12,14H,7H2,1-2H3,(H,17,21)(H,23,24)