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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C2=C(C3=CC=CC=C3S2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C2=C(C3=CC=CC=C3S2)Cl)[N+](=O)[O-]

InChI

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