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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)C

InChI

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