4-(2-chloroethylcarbamoylamino)-3,5-dimethyl-benzoic acid

Systemtic Name: 4-(2-chloroethylcarbamoylamino)-3,5-dimethyl-benzoic acid Openeye Name: 4-(2-chloroethylcarbamoylamino)-3,5-dimethyl-benzoic acid CAS Name: 4-[[(2-chloroethylamino)-oxomethyl]amino]-3,5-dimethylbenzoic acid IUPAC Name: 4-(2-chloroethylcarbamoylamino)-3,5-dimethylbenzoic acid Traditional Name: 4-(2-chloroethylcarbamoylamino)-3,5-dimethyl-benzoic acid Formula: C12H15ClN2O3 MolecularWeight: 270.7121

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)NCCCl)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)NCCCl)C)C(=O)O

InChI

InChI=1S/C12H15ClN2O3/c1-7-5-9(11(16)17)6-8(2)10(7)15-12(18)14-4-3-13/h5-6H,3-4H2,1-2H3,(H,16,17)(H2,14,15,18)