(4-methylsulfanylphenyl)methyl 2-nitrocyclopropane-1-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-nitrocyclopropane-1-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 2-nitrocyclopropanecarboxylate CAS Name: 2-nitro-1-cyclopropanecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-nitrocyclopropane-1-carboxylate Traditional Name: 2-nitrocyclopropanecarboxylic acid [4-(methylthio)benzyl] ester Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2CC2[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2CC2[N+](=O)[O-]

InChI

InChI=1S/C12H13NO4S/c1-18-9-4-2-8(3-5-9)7-17-12(14)10-6-11(10)13(15)16/h2-5,10-11H,6-7H2,1H3