3-(2-chloroethylcarbamoylamino)-4-methyl-benzoate

Systemtic Name: 3-(2-chloroethylcarbamoylamino)-4-methyl-benzoate Openeye Name: 3-(2-chloroethylcarbamoylamino)-4-methyl-benzoate CAS Name: 3-[[(2-chloroethylamino)-oxomethyl]amino]-4-methylbenzoate IUPAC Name: 3-(2-chloroethylcarbamoylamino)-4-methylbenzoate Traditional Name: 3-(2-chloroethylcarbamoylamino)-4-methyl-benzoate Formula: C11H12ClN2O3- MolecularWeight: 255.67758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)NCCCl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)NCCCl

InChI

InChI=1S/C11H13ClN2O3/c1-7-2-3-8(10(15)16)6-9(7)14-11(17)13-5-4-12/h2-3,6H,4-5H2,1H3,(H,15,16)(H2,13,14,17)/p-1