(4-aminocarbonyl-2-nitro-phenyl)methyl 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C17H11FN2O5S MolecularWeight: 374.343043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(SC2=C1)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=C2C=C(SC2=C1)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])F

InChI

InChI=1S/C17H11FN2O5S/c18-12-2-1-3-14-11(12)7-15(26-14)17(22)25-8-10-5-4-9(16(19)21)6-13(10)20(23)24/h1-7H,8H2,(H2,19,21)