3-methyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-methyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-3-methyl-benzothiophene-2-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-3-methyl-benzothiophene-2-carboxamide Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H14N2O4S/c1-10-13-4-2-3-5-15(13)24-16(10)17(21)18-9-11-8-12(19(22)23)6-7-14(11)20/h2-8,20H,9H2,1H3,(H,18,21)