N-cyclopropyl-N-(2-hydroxyethyl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-cyclopropyl-N-(2-hydroxyethyl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-cyclopropyl-N-(2-hydroxyethyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-cyclopropyl-N-(2-hydroxyethyl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-cyclopropyl-N-(2-hydroxyethyl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-cyclopropyl-N-(2-hydroxyethyl)-4-(methylthio)-3-nitro-benzamide Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4S/c1-20-12-5-2-9(8-11(12)15(18)19)13(17)14(6-7-16)10-3-4-10/h2,5,8,10,16H,3-4,6-7H2,1H3