N-(2-hydroxyethyl)-4-methylsulfanyl-3-nitro-N-propan-2-yl-benzamide

Systemtic Name: N-(2-hydroxyethyl)-4-methylsulfanyl-3-nitro-N-propan-2-yl-benzamide Openeye Name: N-(2-hydroxyethyl)-N-isopropyl-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(2-hydroxyethyl)-4-(methylthio)-3-nitro-N-propan-2-ylbenzamide IUPAC Name: N-(2-hydroxyethyl)-4-methylsulfanyl-3-nitro-N-propan-2-ylbenzamide Traditional Name: N-(2-hydroxyethyl)-N-isopropyl-4-(methylthio)-3-nitro-benzamide Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCO)C(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(CCO)C(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O4S/c1-9(2)14(6-7-16)13(17)10-4-5-12(20-3)11(8-10)15(18)19/h4-5,8-9,16H,6-7H2,1-3H3