4-bromanyl-1-(4-methylphenyl)sulfonyl-2-(2-nitroethyl)pyrrole

Systemtic Name: 4-bromanyl-1-(4-methylphenyl)sulfonyl-2-(2-nitroethyl)pyrrole Openeye Name: 4-bromo-2-(2-nitroethyl)-1-(p-tolylsulfonyl)pyrrole CAS Name: 4-bromo-1-(4-methylphenyl)sulfonyl-2-(2-nitroethyl)pyrrole IUPAC Name: 4-bromo-1-(4-methylphenyl)sulfonyl-2-(2-nitroethyl)pyrrole Traditional Name: 4-bromo-2-(2-nitroethyl)-1-tosyl-pyrrole Formula: C13H13BrN2O4S MolecularWeight: 373.22232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2CC[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2CC[N+](=O)[O-])Br

InChI

InChI=1S/C13H13BrN2O4S/c1-10-2-4-13(5-3-10)21(19,20)15-9-11(14)8-12(15)6-7-16(17)18/h2-5,8-9H,6-7H2,1H3