methyl 3-(2,4-dichlorophenyl)-4-nitro-hexanoate

Systemtic Name: methyl 3-(2,4-dichlorophenyl)-4-nitro-hexanoate Openeye Name: methyl 3-(2,4-dichlorophenyl)-4-nitro-hexanoate CAS Name: 3-(2,4-dichlorophenyl)-4-nitrohexanoic acid methyl ester IUPAC Name: methyl 3-(2,4-dichlorophenyl)-4-nitrohexanoate Traditional Name: 3-(2,4-dichlorophenyl)-4-nitro-hexanoic acid methyl ester Formula: C13H15Cl2NO4 MolecularWeight: 320.1685

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC(=O)OC)C1=C(C=C(C=C1)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(C(CC(=O)OC)C1=C(C=C(C=C1)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H15Cl2NO4/c1-3-12(16(18)19)10(7-13(17)20-2)9-5-4-8(14)6-11(9)15/h4-6,10,12H,3,7H2,1-2H3