ethyl 2,5-dimethyl-1-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-2-oxidanylidene-ethyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-2-oxidanylidene-ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-2-oxo-ethyl]pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-2-oxoethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-2-oxoethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C20H22N2O8 MolecularWeight: 418.39728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C

InChI

InChI=1S/C20H22N2O8/c1-4-28-20(24)17-5-12(2)21(13(17)3)8-18(23)29-10-15-7-16(22(25)26)6-14-9-27-11-30-19(14)15/h5-7H,4,8-11H2,1-3H3