methyl 4-[(5-chloranylthiophen-2-yl)methoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[(5-chloranylthiophen-2-yl)methoxy]-3-nitro-benzoate Openeye Name: methyl 4-[(5-chloro-2-thienyl)methoxy]-3-nitro-benzoate CAS Name: 4-[(5-chloro-2-thiophenyl)methoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(5-chlorothiophen-2-yl)methoxy]-3-nitrobenzoate Traditional Name: 4-[(5-chloro-2-thienyl)methoxy]-3-nitro-benzoic acid methyl ester Formula: C13H10ClNO5S MolecularWeight: 327.7402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC2=CC=C(S2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC2=CC=C(S2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H10ClNO5S/c1-19-13(16)8-2-4-11(10(6-8)15(17)18)20-7-9-3-5-12(14)21-9/h2-6H,7H2,1H3