[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C21H22N2O6/c1-3-14-6-4-5-13(2)20(14)23-18(24)11-27-19(25)10-22-21(26)15-7-8-16-17(9-15)29-12-28-16/h4-9H,3,10-12H2,1-2H3,(H,22,26)(H,23,24)