3-chloranyl-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(E)-(4-methoxyphenyl)methyleneamino]-6-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-nitro-N-[(E)-p-anisylideneamino]benzothiophene-2-carboxamide Formula: C17H12ClN3O4S MolecularWeight: 389.81288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=NNC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=C(C=C1)/C=N/NC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12ClN3O4S/c1-25-12-5-2-10(3-6-12)9-19-20-17(22)16-15(18)13-7-4-11(21(23)24)8-14(13)26-16/h2-9H,1H3,(H,20,22)/b19-9+