O3-[2-chloranyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamoylamino)phenyl] O1-methyl propanedioate

Systemtic Name: O3-[2-chloranyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamoylamino)phenyl] O1-methyl propanedioate Openeye Name: O3-[2-chloro-4-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamoylamino)phenyl] O1-methyl propanedioate CAS Name: propanedioic acid O3-[2-chloro-4-[[[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-oxomethyl]amino]phenyl] ester O1-methyl ester IUPAC Name: 3-O-[2-chloro-4-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamoylamino)phenyl] 1-O-methyl propanedioate Traditional Name: malonic acid O3-[2-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-carbonylcarbamoylamino)phenyl] ester O1-methyl ester Formula: C20H17ClN2O8 MolecularWeight: 448.81058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)OC1=C(C=C(C=C1)NC(=O)NC(=O)C2=CC3=C(C=C2)OCCO3)Cl

Isomeric SMILES

COC(=O)CC(=O)OC1=C(C=C(C=C1)NC(=O)NC(=O)C2=CC3=C(C=C2)OCCO3)Cl

InChI

InChI=1S/C20H17ClN2O8/c1-28-17(24)10-18(25)31-14-5-3-12(9-13(14)21)22-20(27)23-19(26)11-2-4-15-16(8-11)30-7-6-29-15/h2-5,8-9H,6-7,10H2,1H3,(H2,22,23,26,27)