3-(2-chloroethylcarbamoylamino)benzoate

Systemtic Name: 3-(2-chloroethylcarbamoylamino)benzoate Openeye Name: 3-(2-chloroethylcarbamoylamino)benzoate CAS Name: 3-[[(2-chloroethylamino)-oxomethyl]amino]benzoate IUPAC Name: 3-(2-chloroethylcarbamoylamino)benzoate Traditional Name: 3-(2-chloroethylcarbamoylamino)benzoate Formula: C10H10ClN2O3- MolecularWeight: 241.651

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NCCCl)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NCCCl)C(=O)[O-]

InChI

InChI=1S/C10H11ClN2O3/c11-4-5-12-10(16)13-8-3-1-2-7(6-8)9(14)15/h1-3,6H,4-5H2,(H,14,15)(H2,12,13,16)/p-1