N2-(3,5-dinitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide

Systemtic Name: N2-(3,5-dinitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide Openeye Name: N2-(3,5-dinitrophenyl)-4,5,6,7-tetrahydrobenzothiophene-2,3-dicarboxamide CAS Name: N2-(3,5-dinitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide IUPAC Name: 2-N-(3,5-dinitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,3-dicarboxamide Traditional Name: N-(3,5-dinitrophenyl)-4,5,6,7-tetrahydrobenzothiophene-2,3-dicarboxamide Formula: C16H14N4O6S MolecularWeight: 390.37056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)C(=O)NC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)C(=O)NC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C16H14N4O6S/c17-15(21)13-11-3-1-2-4-12(11)27-14(13)16(22)18-8-5-9(19(23)24)7-10(6-8)20(25)26/h5-7H,1-4H2,(H2,17,21)(H,18,22)