4-[(2-azanyl-2-phenyl-ethanoyl)amino]-3-chloranyl-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 4-[(2-azanyl-2-phenyl-ethanoyl)amino]-3-chloranyl-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 4-[(2-amino-2-phenyl-acetyl)amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-[(2-amino-1-oxo-2-phenylethyl)amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 4-[(2-amino-2-phenylacetyl)amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 4-[(2-amino-2-phenyl-acetyl)amino]-3-chloro-8-keto-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H16ClN3O4 MolecularWeight: 349.76894

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(=O)N2C(=C(C1NC(=O)C(C3=CC=CC=C3)N)Cl)C(=O)O

Isomeric SMILES

C1C2CC(=O)N2C(=C(C1NC(=O)C(C3=CC=CC=C3)N)Cl)C(=O)O

InChI

InChI=1S/C16H16ClN3O4/c17-12-10(6-9-7-11(21)20(9)14(12)16(23)24)19-15(22)13(18)8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,18H2,(H,19,22)(H,23,24)