N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-pyrrol-1-yl-thiophene-2-carboxamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-pyrrol-1-yl-thiophene-2-carboxamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-pyrrol-1-yl-thiophene-2-carboxamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-(1-pyrrolyl)-2-thiophenecarboxamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-pyrrol-1-yl-thiophene-2-carboxamide Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=C(C=CS2)N3C=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=C(C=CS2)N3C=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H19N3O5S/c1-26-16-11-13(15(22(24)25)12-17(16)27-2)5-7-20-19(23)18-14(6-10-28-18)21-8-3-4-9-21/h3-4,6,8-12H,5,7H2,1-2H3,(H,20,23)