[1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: [1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: [2-(4-chloro-2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid [2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21ClN2O7 MolecularWeight: 448.85364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)OC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)OC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H21ClN2O7/c1-11-6-15(17(28-3)8-14(11)22)24-20(26)12(2)31-19(25)9-23-21(27)13-4-5-16-18(7-13)30-10-29-16/h4-8,12H,9-10H2,1-3H3,(H,23,27)(H,24,26)