O2-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] ester O4-methyl ester IUPAC Name: 2-O-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 4-O-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl] ester O4-methyl ester Formula: C21H22N2O8 MolecularWeight: 430.40798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)OCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)OCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)C)C(=O)OC

InChI

InChI=1S/C21H22N2O8/c1-5-13-18(20(26)28-4)10(2)19(23-13)21(27)29-8-17(25)22-14-7-16-15(30-9-31-16)6-12(14)11(3)24/h6-7,23H,5,8-9H2,1-4H3,(H,22,25)