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

Systemtic Name: N-[3-[2-(2-chloranyl-4-nitro-phenoxy)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzamide Openeye Name: N-[3-[2-(2-chloro-4-nitro-phenoxy)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzamide CAS Name: N-[3-[2-(2-chloro-4-nitrophenoxy)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzamide IUPAC Name: N-[3-[2-(2-chloro-4-nitrophenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]benzamide Traditional Name: N-[3-[2-(2-chloro-4-nitro-phenoxy)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzamide Formula: C21H18ClN3O5 MolecularWeight: 427.83772

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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=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O5/c1-13-10-17(14(2)24(13)23-21(27)15-6-4-3-5-7-15)19(26)12-30-20-9-8-16(25(28)29)11-18(20)22/h3-11H,12H2,1-2H3,(H,23,27)