2-(2-chloranyl-4-nitro-phenoxy)-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-(2-chloranyl-4-nitro-phenoxy)-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone Openeye Name: 2-(2-chloro-4-nitro-phenoxy)-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone CAS Name: 2-(2-chloro-4-nitrophenoxy)-1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(2-chloro-4-nitrophenoxy)-1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)ethanone Traditional Name: 2-(2-chloro-4-nitro-phenoxy)-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H21ClN2O4/c1-15-12-19(16(2)24(15)11-10-17-6-4-3-5-7-17)21(26)14-29-22-9-8-18(25(27)28)13-20(22)23/h3-9,12-13H,10-11,14H2,1-2H3