[3-(bromomethyl)-6-chloranyl-1-benzothiophen-5-yl] 4-nitrobenzoate

Systemtic Name: [3-(bromomethyl)-6-chloranyl-1-benzothiophen-5-yl] 4-nitrobenzoate Openeye Name: [3-(bromomethyl)-6-chloro-benzothiophen-5-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-(bromomethyl)-6-chloro-1-benzothiophen-5-yl] ester IUPAC Name: [3-(bromomethyl)-6-chloro-1-benzothiophen-5-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-(bromomethyl)-6-chloro-benzothiophen-5-yl] ester Formula: C16H9BrClNO4S MolecularWeight: 426.66896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=C(C=C3C(=C2)C(=CS3)CBr)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=C(C=C3C(=C2)C(=CS3)CBr)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H9BrClNO4S/c17-7-10-8-24-15-6-13(18)14(5-12(10)15)23-16(20)9-1-3-11(4-2-9)19(21)22/h1-6,8H,7H2