ethyl 2-benzamido-4,6-dinitro-7-oxidanyl-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-benzamido-4,6-dinitro-7-oxidanyl-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-benzamido-7-hydroxy-4,6-dinitro-benzothiophene-3-carboxylate CAS Name: 2-benzamido-7-hydroxy-4,6-dinitro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzamido-7-hydroxy-4,6-dinitro-1-benzothiophene-3-carboxylate Traditional Name: 2-benzamido-7-hydroxy-4,6-dinitro-benzothiophene-3-carboxylic acid ethyl ester Formula: C18H13N3O8S MolecularWeight: 431.37612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H13N3O8S/c1-2-29-18(24)13-12-10(20(25)26)8-11(21(27)28)14(22)15(12)30-17(13)19-16(23)9-6-4-3-5-7-9/h3-8,22H,2H2,1H3,(H,19,23)