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

Systemtic Name: 3-chloranyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzothiophene-2-carboxamide Formula: C17H10ClN3O5S MolecularWeight: 403.7964

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=C(C4=CC=CC=C4S3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC(=O)C3=C(C4=CC=CC=C4S3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H10ClN3O5S/c18-15-10-3-1-2-4-14(10)27-16(15)17(22)20-19-7-9-5-12-13(26-8-25-12)6-11(9)21(23)24/h1-7H,8H2,(H,20,22)/b19-7+