ethyl 3-(2-chloroethylcarbamoylamino)-4-(ethylamino)benzoate

Systemtic Name: ethyl 3-(2-chloroethylcarbamoylamino)-4-(ethylamino)benzoate Openeye Name: ethyl 3-(2-chloroethylcarbamoylamino)-4-(ethylamino)benzoate CAS Name: 3-[[(2-chloroethylamino)-oxomethyl]amino]-4-(ethylamino)benzoic acid ethyl ester IUPAC Name: ethyl 3-(2-chloroethylcarbamoylamino)-4-(ethylamino)benzoate Traditional Name: 3-(2-chloroethylcarbamoylamino)-4-(ethylamino)benzoic acid ethyl ester Formula: C14H20ClN3O3 MolecularWeight: 313.7799

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC)NC(=O)NCCCl

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC)NC(=O)NCCCl

InChI

InChI=1S/C14H20ClN3O3/c1-3-16-11-6-5-10(13(19)21-4-2)9-12(11)18-14(20)17-8-7-15/h5-6,9,16H,3-4,7-8H2,1-2H3,(H2,17,18,20)