ethyl 1-[2-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]oxy-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]oxy-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-[2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethoxy]-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[2-[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-[2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethoxy]-2-keto-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C21H24N2O7/c1-5-27-21(26)16-8-12(2)23(13(16)3)10-19(24)30-14(4)20(25)22-15-6-7-17-18(9-15)29-11-28-17/h6-9,14H,5,10-11H2,1-4H3,(H,22,25)