3-methyl-3-(4-methyl-3-nitro-phenyl)carbonyl-pentanoic acid

Systemtic Name: 3-methyl-3-(4-methyl-3-nitro-phenyl)carbonyl-pentanoic acid Openeye Name: 3-methyl-3-(4-methyl-3-nitro-benzoyl)pentanoic acid CAS Name: 3-methyl-3-[(4-methyl-3-nitrophenyl)-oxomethyl]pentanoic acid IUPAC Name: 3-methyl-3-(4-methyl-3-nitrobenzoyl)pentanoic acid Traditional Name: 3-methyl-3-(4-methyl-3-nitro-benzoyl)valeric acid Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-4-14(3,8-12(16)17)13(18)10-6-5-9(2)11(7-10)15(19)20/h5-7H,4,8H2,1-3H3,(H,16,17)