thiophen-2-ylmethyl 4-chloranyl-3-nitro-benzoate

Systemtic Name: thiophen-2-ylmethyl 4-chloranyl-3-nitro-benzoate Openeye Name: 2-thienylmethyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid 2-thenyl ester Formula: C12H8ClNO4S MolecularWeight: 297.71422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8ClNO4S/c13-10-4-3-8(6-11(10)14(16)17)12(15)18-7-9-2-1-5-19-9/h1-6H,7H2