5-nitro-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]-1-benzothiophene-2-carboxamide

Systemtic Name: 5-nitro-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]-1-benzothiophene-2-carboxamide Openeye Name: 5-nitro-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methyleneamino]benzothiophene-2-carboxamide CAS Name: 5-nitro-N-[[1-(4-nitrophenyl)-2-pyrrolyl]methylideneamino]-1-benzothiophene-2-carboxamide IUPAC Name: 5-nitro-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]-1-benzothiophene-2-carboxamide Traditional Name: 5-nitro-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methyleneamino]benzothiophene-2-carboxamide Formula: C20H13N5O5S MolecularWeight: 435.41272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CN(C(=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H13N5O5S/c26-20(19-11-13-10-16(25(29)30)7-8-18(13)31-19)22-21-12-17-2-1-9-23(17)14-3-5-15(6-4-14)24(27)28/h1-12H,(H,22,26)