2-(2-chloranylethanoylamino)benzoic acid hydrate

Systemtic Name: 2-(2-chloranylethanoylamino)benzoic acid hydrate Openeye Name: 2-[(2-chloroacetyl)amino]benzoic acid hydrate CAS Name: 2-[(2-chloro-1-oxoethyl)amino]benzoic acid hydrate IUPAC Name: 2-[(2-chloroacetyl)amino]benzoic acid hydrate Traditional Name: 2-[(2-chloroacetyl)amino]benzoic acid hydrate Formula: C9H10ClNO4 MolecularWeight: 231.633

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCl.O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCl.O

InChI

InChI=1S/C9H8ClNO3.H2O/c10-5-8(12)11-7-4-2-1-3-6(7)9(13)14;/h1-4H,5H2,(H,11,12)(H,13,14);1H2