1-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-(4-nitrophenoxy)ethanone

Systemtic Name: 1-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-(4-nitrophenoxy)ethanone Openeye Name: 1-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-(4-nitrophenoxy)ethanone CAS Name: 1-[1-[2-(1-cyclohexenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-(4-nitrophenoxy)ethanone IUPAC Name: 1-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-(4-nitrophenoxy)ethanone Traditional Name: 1-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-(4-nitrophenoxy)ethanone Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CCCCC2)C)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCC2=CCCCC2)C)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O4/c1-16-14-21(17(2)23(16)13-12-18-6-4-3-5-7-18)22(25)15-28-20-10-8-19(9-11-20)24(26)27/h6,8-11,14H,3-5,7,12-13,15H2,1-2H3