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

Systemtic Name: 2-(2-chloranyl-4-nitro-phenoxy)-1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-(2-chloro-4-nitro-phenoxy)-1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(2-chloro-4-nitrophenoxy)-1-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(2-chloro-4-nitrophenoxy)-1-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(2-chloro-4-nitro-phenoxy)-1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C18H21ClN2O5 MolecularWeight: 380.82274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCOC)C)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(N1CCCOC)C)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H21ClN2O5/c1-12-9-15(13(2)20(12)7-4-8-25-3)17(22)11-26-18-6-5-14(21(23)24)10-16(18)19/h5-6,9-10H,4,7-8,11H2,1-3H3