O2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-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-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]amino]-2-oxoethyl] ester O4-ethyl ester IUPAC Name: 2-O-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-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-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-keto-ethyl] ester O4-ethyl ester Formula: C21H23N3O8 MolecularWeight: 445.42262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C21H23N3O8/c1-4-29-19(26)17-11(2)18(22-12(17)3)20(27)32-10-16(25)24-21(28)23-13-5-6-14-15(9-13)31-8-7-30-14/h5-6,9,22H,4,7-8,10H2,1-3H3,(H2,23,24,25,28)