N-[(4-morpholin-4-yl-3-nitro-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(4-morpholin-4-yl-3-nitro-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(4-morpholino-3-nitro-phenyl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[4-(4-morpholinyl)-3-nitrophenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(4-morpholino-3-nitro-benzylidene)amino]-5-nitro-benzothiophene-2-carboxamide Formula: C20H17N5O6S MolecularWeight: 455.44388

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O6S/c26-20(19-11-14-10-15(24(27)28)2-4-18(14)32-19)22-21-12-13-1-3-16(17(9-13)25(29)30)23-5-7-31-8-6-23/h1-4,9-12H,5-8H2,(H,22,26)