5-nitro-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-benzothiophene-2-carboxamide

Systemtic Name: 5-nitro-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-benzothiophene-2-carboxamide Openeye Name: 5-nitro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzothiophene-2-carboxamide CAS Name: 5-nitro-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-benzothiophene-2-carboxamide IUPAC Name: 5-nitro-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-benzothiophene-2-carboxamide Traditional Name: 5-nitro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzothiophene-2-carboxamide Formula: C17H10N4O7S MolecularWeight: 414.3489

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H10N4O7S/c22-17(16-5-9-3-11(20(23)24)1-2-15(9)29-16)19-18-7-10-4-13-14(28-8-27-13)6-12(10)21(25)26/h1-7H,8H2,(H,19,22)