(4-methylsulfanylphenyl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [4-(methylthio)benzyl] ester Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC2=CC=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC2=CC=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O4S/c1-15-8-11(16(18)19)7-13(15)14(17)20-9-10-3-5-12(21-2)6-4-10/h3-8H,9H2,1-2H3