7-[(2-azanyl-2-phenyl-ethanoyl)amino]-3-chloranyl-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 4-oxidanylbenzoate; hydrate

Systemtic Name: 7-[(2-azanyl-2-phenyl-ethanoyl)amino]-3-chloranyl-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 4-oxidanylbenzoate; hydrate Openeye Name: 7-[(2-amino-2-phenyl-acetyl)amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 4-hydroxybenzoate; hydrate CAS Name: 7-[(2-amino-1-oxo-2-phenylethyl)amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 4-hydroxybenzoate; hydrate IUPAC Name: 7-[(2-amino-2-phenylacetyl)amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 4-hydroxybenzoate; hydrate Traditional Name: 7-[(2-amino-2-phenyl-acetyl)amino]-3-chloro-8-keto-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 4-hydroxybenzoate; hydrate Formula: C23H23ClN3O8- MolecularWeight: 504.89702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(N2C1C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl.C1=CC(=CC=C1C(=O)[O-])O.O

Isomeric SMILES

C1CC(=C(N2C1C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl.C1=CC(=CC=C1C(=O)[O-])O.O

InChI

InChI=1S/C16H16ClN3O4.C7H6O3.H2O/c17-9-6-7-10-12(15(22)20(10)13(9)16(23)24)19-14(21)11(18)8-4-2-1-3-5-8;8-6-3-1-5(2-4-6)7(9)10;/h1-5,10-12H,6-7,18H2,(H,19,21)(H,23,24);1-4,8H,(H,9,10);1H2/p-1