methyl 3-[(4-methanoylphenyl)amino]-6-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-methanoylphenyl)amino]-6-nitro-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-(4-formylanilino)-6-nitro-benzothiophene-2-carboxylate CAS Name: 3-(4-formylanilino)-6-nitro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-formylanilino)-6-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-(4-formylanilino)-6-nitro-benzothiophene-2-carboxylic acid methyl ester Formula: C17H12N2O5S MolecularWeight: 356.35258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)C=O

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)C=O

InChI

InChI=1S/C17H12N2O5S/c1-24-17(21)16-15(18-11-4-2-10(9-20)3-5-11)13-7-6-12(19(22)23)8-14(13)25-16/h2-9,18H,1H3