diethyl 5-[2-(3,5-dinitrophenyl)carbonyloxyethylsulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-(3,5-dinitrophenyl)carbonyloxyethylsulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[2-(3,5-dinitrobenzoyl)oxyethylsulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[2-[(3,5-dinitrophenyl)-oxomethoxy]ethylthio]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2-(3,5-dinitrobenzoyl)oxyethylsulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[2-(3,5-dinitrobenzoyl)oxyethylthio]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C21H23N3O10S MolecularWeight: 509.48642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSCCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSCCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O10S/c1-4-32-20(26)17-12(3)18(21(27)33-5-2)22-16(17)11-35-7-6-34-19(25)13-8-14(23(28)29)10-15(9-13)24(30)31/h8-10,22H,4-7,11H2,1-3H3