methyl 2-(3-chlorophenyl)-4-methyl-4-nitro-pentanoate

Systemtic Name: methyl 2-(3-chlorophenyl)-4-methyl-4-nitro-pentanoate Openeye Name: methyl 2-(3-chlorophenyl)-4-methyl-4-nitro-pentanoate CAS Name: 2-(3-chlorophenyl)-4-methyl-4-nitropentanoic acid methyl ester IUPAC Name: methyl 2-(3-chlorophenyl)-4-methyl-4-nitropentanoate Traditional Name: 2-(3-chlorophenyl)-4-methyl-4-nitro-valeric acid methyl ester Formula: C13H16ClNO4 MolecularWeight: 285.72344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO4/c1-13(2,15(17)18)8-11(12(16)19-3)9-5-4-6-10(14)7-9/h4-7,11H,8H2,1-3H3