4,4-bis(chloranyl)-3-(4-methylphenyl)sulfanyl-2-nitro-1-pyrrolidin-1-yl-but-2-en-1-one

Systemtic Name: 4,4-bis(chloranyl)-3-(4-methylphenyl)sulfanyl-2-nitro-1-pyrrolidin-1-yl-but-2-en-1-one Openeye Name: 4,4-dichloro-2-nitro-3-(p-tolylsulfanyl)-1-pyrrolidin-1-yl-but-2-en-1-one CAS Name: 4,4-dichloro-3-[(4-methylphenyl)thio]-2-nitro-1-(1-pyrrolidinyl)-2-buten-1-one IUPAC Name: 4,4-dichloro-3-(4-methylphenyl)sulfanyl-2-nitro-1-pyrrolidin-1-ylbut-2-en-1-one Traditional Name: 4,4-dichloro-2-nitro-3-(p-tolylthio)-1-pyrrolidino-but-2-en-1-one Formula: C15H16Cl2N2O3S MolecularWeight: 375.27014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=C(C(=O)N2CCCC2)[N+](=O)[O-])C(Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC(=C(C(=O)N2CCCC2)[N+](=O)[O-])C(Cl)Cl

InChI

InChI=1S/C15H16Cl2N2O3S/c1-10-4-6-11(7-5-10)23-13(14(16)17)12(19(21)22)15(20)18-8-2-3-9-18/h4-7,14H,2-3,8-9H2,1H3