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

Systemtic Name: thiophen-2-ylmethyl 2-chloranyl-4-nitro-benzoate Openeye Name: 2-thienylmethyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-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=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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