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

Systemtic Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-benzothiophene-3-carboxamide Openeye Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzothiophene-3-carboxamide CAS Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-benzothiophene-3-carboxamide IUPAC Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-benzothiophene-3-carboxamide Traditional Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzothiophene-3-carboxamide Formula: C17H11N3O5S MolecularWeight: 369.35134

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=CSC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC(=O)C3=CSC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O5S/c21-17(12-8-26-16-4-2-1-3-11(12)16)19-18-7-10-5-14-15(25-9-24-14)6-13(10)20(22)23/h1-8H,9H2,(H,19,21)/b18-7+