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

Systemtic Name: methyl 3-(2,4-dichlorophenyl)-4-nitro-pentanoate Openeye Name: methyl 3-(2,4-dichlorophenyl)-4-nitro-pentanoate CAS Name: 3-(2,4-dichlorophenyl)-4-nitropentanoic acid methyl ester IUPAC Name: methyl 3-(2,4-dichlorophenyl)-4-nitropentanoate Traditional Name: 3-(2,4-dichlorophenyl)-4-nitro-valeric acid methyl ester Formula: C12H13Cl2NO4 MolecularWeight: 306.14192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13Cl2NO4/c1-7(15(17)18)10(6-12(16)19-2)9-4-3-8(13)5-11(9)14/h3-5,7,10H,6H2,1-2H3