3-[3,5-bis(chloranyl)pyridin-4-yl]-1-(3-cyclopentyloxy-4-methoxy-2-nitro-phenyl)propan-1-one

Systemtic Name: 3-[3,5-bis(chloranyl)pyridin-4-yl]-1-(3-cyclopentyloxy-4-methoxy-2-nitro-phenyl)propan-1-one Openeye Name: 1-[3-(cyclopentoxy)-4-methoxy-2-nitro-phenyl]-3-(3,5-dichloro-4-pyridyl)propan-1-one CAS Name: 1-(3-cyclopentyloxy-4-methoxy-2-nitrophenyl)-3-(3,5-dichloro-4-pyridinyl)-1-propanone IUPAC Name: 1-(3-cyclopentyloxy-4-methoxy-2-nitrophenyl)-3-(3,5-dichloropyridin-4-yl)propan-1-one Traditional Name: 1-[3-(cyclopentoxy)-4-methoxy-2-nitro-phenyl]-3-(3,5-dichloro-4-pyridyl)propan-1-one Formula: C20H20Cl2N2O5 MolecularWeight: 439.2892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)CCC2=C(C=NC=C2Cl)Cl)[N+](=O)[O-])OC3CCCC3

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)CCC2=C(C=NC=C2Cl)Cl)[N+](=O)[O-])OC3CCCC3

InChI

InChI=1S/C20H20Cl2N2O5/c1-28-18-9-7-14(17(25)8-6-13-15(21)10-23-11-16(13)22)19(24(26)27)20(18)29-12-4-2-3-5-12/h7,9-12H,2-6,8H2,1H3