(3-methoxycarbonylphenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (3-methoxycarbonylphenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: (3-methoxycarbonylphenyl)methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid (3-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (3-carbomethoxybenzyl) ester Formula: C18H13NO6S MolecularWeight: 371.36392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13NO6S/c1-24-17(20)12-4-2-3-11(7-12)10-25-18(21)16-9-13-8-14(19(22)23)5-6-15(13)26-16/h2-9H,10H2,1H3