(6R,7S)-5,5-dicyano-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7S)-5,5-dicyano-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7S)-5,5-dicyano-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7S)-5,5-dicyano-3-methyl-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7S)-5,5-dicyano-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7S)-5,5-dicyano-8-keto-3-methyl-7-[(2-phenoxyacetyl)amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H16N4O5 MolecularWeight: 380.35414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)C(C1)(C#N)C#N)C(=O)O

Isomeric SMILES

CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(C1)(C#N)C#N)C(=O)O

InChI

InChI=1S/C19H16N4O5/c1-11-7-19(9-20,10-21)16-14(17(25)23(16)15(11)18(26)27)22-13(24)8-28-12-5-3-2-4-6-12/h2-6,14,16H,7-8H2,1H3,(H,22,24)(H,26,27)/t14-,16-/m0/s1