methyl 4-[2,3-bis(chloranyl)phenyl]-4-nitro-pentanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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