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

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-pyrrol-1-yl-benzamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-pyrrol-1-yl-benzamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-pyrrol-1-ylbenzamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-pyrrol-1-yl-benzamide Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-28-19-13-16(18(24(26)27)14-20(19)29-2)9-10-22-21(25)15-5-7-17(8-6-15)23-11-3-4-12-23/h3-8,11-14H,9-10H2,1-2H3,(H,22,25)