(3-nitrophenyl)methyl 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (3-nitrophenyl)methyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (3-nitrophenyl)methyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (3-nitrobenzyl) ester Formula: C16H10ClNO4S MolecularWeight: 347.7729

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H10ClNO4S/c17-14-12-6-1-2-7-13(12)23-15(14)16(19)22-9-10-4-3-5-11(8-10)18(20)21/h1-8H,9H2