N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-4-nitro-3-oxidanyl-benzamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-4-nitro-3-oxidanyl-benzamide Openeye Name: N-(6-chlorothiochroman-4-yl)-3-hydroxy-4-nitro-benzamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-hydroxy-4-nitrobenzamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-hydroxy-4-nitrobenzamide Traditional Name: N-(6-chlorothiochroman-4-yl)-3-hydroxy-4-nitro-benzamide Formula: C16H13ClN2O4S MolecularWeight: 364.80342

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O)C=C(C=C2)Cl

InChI

InChI=1S/C16H13ClN2O4S/c17-10-2-4-15-11(8-10)12(5-6-24-15)18-16(21)9-1-3-13(19(22)23)14(20)7-9/h1-4,7-8,12,20H,5-6H2,(H,18,21)