N-[(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide Formula: C18H13N3O6S MolecularWeight: 399.37732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O6S/c1-25-13-4-10(5-14-17(13)27-9-26-14)8-19-20-18(22)16-7-11-6-12(21(23)24)2-3-15(11)28-16/h2-8H,9H2,1H3,(H,20,22)