methyl 6-(2-chloroethylcarbamoylamino)-1-methyl-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: methyl 6-(2-chloroethylcarbamoylamino)-1-methyl-cyclohexa-2,4-diene-1-carboxylate Openeye Name: methyl 6-(2-chloroethylcarbamoylamino)-1-methyl-cyclohexa-2,4-diene-1-carboxylate CAS Name: 6-[[(2-chloroethylamino)-oxomethyl]amino]-1-methyl-1-cyclohexa-2,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 6-(2-chloroethylcarbamoylamino)-1-methylcyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-(2-chloroethylcarbamoylamino)-1-methyl-cyclohexa-2,4-diene-1-carboxylic acid methyl ester Formula: C12H17ClN2O3 MolecularWeight: 272.72798

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC=CC1NC(=O)NCCCl)C(=O)OC

Isomeric SMILES

CC1(C=CC=CC1NC(=O)NCCCl)C(=O)OC

InChI

InChI=1S/C12H17ClN2O3/c1-12(10(16)18-2)6-4-3-5-9(12)15-11(17)14-8-7-13/h3-6,9H,7-8H2,1-2H3,(H2,14,15,17)