methyl 3-methyl-4-nitro-5-phenyl-pentanoate

Systemtic Name: methyl 3-methyl-4-nitro-5-phenyl-pentanoate Openeye Name: methyl 3-methyl-4-nitro-5-phenyl-pentanoate CAS Name: 3-methyl-4-nitro-5-phenylpentanoic acid methyl ester IUPAC Name: methyl 3-methyl-4-nitro-5-phenylpentanoate Traditional Name: 3-methyl-4-nitro-5-phenyl-valeric acid methyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C(CC1=CC=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(CC(=O)OC)C(CC1=CC=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO4/c1-10(8-13(15)18-2)12(14(16)17)9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3