(2-methoxy-5-methyl-phenyl)methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (2-methoxy-5-methyl-benzyl) ester Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO5S/c1-9-3-4-11(19-2)10(7-9)8-20-14(16)12-5-6-13(21-12)15(17)18/h3-7H,8H2,1-2H3