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

Systemtic Name: thiophen-2-ylmethyl 4-methoxy-3-nitro-benzoate Openeye Name: 2-thienylmethyl 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid 2-thenyl ester Formula: C13H11NO5S MolecularWeight: 293.29514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C13H11NO5S/c1-18-12-5-4-9(7-11(12)14(16)17)13(15)19-8-10-3-2-6-20-10/h2-7H,8H2,1H3