3-[[2,6-bis(oxidanylidene)piperidin-3-yl]methylsulfanyl]-6-methyl-2-nitro-benzoate

Systemtic Name: 3-[[2,6-bis(oxidanylidene)piperidin-3-yl]methylsulfanyl]-6-methyl-2-nitro-benzoate Openeye Name: 3-[(2,6-dioxo-3-piperidyl)methylsulfanyl]-6-methyl-2-nitro-benzoate CAS Name: 3-[(2,6-dioxo-3-piperidinyl)methylthio]-6-methyl-2-nitrobenzoate IUPAC Name: 3-[(2,6-dioxopiperidin-3-yl)methylsulfanyl]-6-methyl-2-nitrobenzoate Traditional Name: 3-[(2,6-diketo-3-piperidyl)methylthio]-6-methyl-2-nitro-benzoate Formula: C14H13N2O6S- MolecularWeight: 337.32782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)SCC2CCC(=O)NC2=O)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1)SCC2CCC(=O)NC2=O)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H14N2O6S/c1-7-2-4-9(12(16(21)22)11(7)14(19)20)23-6-8-3-5-10(17)15-13(8)18/h2,4,8H,3,5-6H2,1H3,(H,19,20)(H,15,17,18)/p-1