N-[2,5-dimethyl-3-[2-(3-methyl-4-nitro-phenoxy)ethanoyl]pyrrol-1-yl]benzamide

Systemtic Name: N-[2,5-dimethyl-3-[2-(3-methyl-4-nitro-phenoxy)ethanoyl]pyrrol-1-yl]benzamide Openeye Name: N-[2,5-dimethyl-3-[2-(3-methyl-4-nitro-phenoxy)acetyl]pyrrol-1-yl]benzamide CAS Name: N-[2,5-dimethyl-3-[2-(3-methyl-4-nitrophenoxy)-1-oxoethyl]-1-pyrrolyl]benzamide IUPAC Name: N-[2,5-dimethyl-3-[2-(3-methyl-4-nitrophenoxy)acetyl]pyrrol-1-yl]benzamide Traditional Name: N-[2,5-dimethyl-3-[2-(3-methyl-4-nitro-phenoxy)acetyl]pyrrol-1-yl]benzamide Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5/c1-14-11-18(9-10-20(14)25(28)29)30-13-21(26)19-12-15(2)24(16(19)3)23-22(27)17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H,23,27)