N-[3-[2-(2-methoxy-5-nitro-phenoxy)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzamide

Systemtic Name: N-[3-[2-(2-methoxy-5-nitro-phenoxy)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzamide Openeye Name: N-[3-[2-(2-methoxy-5-nitro-phenoxy)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzamide CAS Name: N-[3-[2-(2-methoxy-5-nitrophenoxy)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzamide IUPAC Name: N-[3-[2-(2-methoxy-5-nitrophenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]benzamide Traditional Name: N-[3-[2-(2-methoxy-5-nitro-phenoxy)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzamide Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)COC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)COC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H21N3O6/c1-14-11-18(15(2)24(14)23-22(27)16-7-5-4-6-8-16)19(26)13-31-21-12-17(25(28)29)9-10-20(21)30-3/h4-12H,13H2,1-3H3,(H,23,27)