4-methyl-4-(3-methyl-2-nitro-phenyl)-2-oxidanylidene-pentanoic acid

Systemtic Name: 4-methyl-4-(3-methyl-2-nitro-phenyl)-2-oxidanylidene-pentanoic acid Openeye Name: 4-methyl-4-(3-methyl-2-nitro-phenyl)-2-oxo-pentanoic acid CAS Name: 4-methyl-4-(3-methyl-2-nitrophenyl)-2-oxopentanoic acid IUPAC Name: 4-methyl-4-(3-methyl-2-nitrophenyl)-2-oxopentanoic acid Traditional Name: 2-keto-4-methyl-4-(3-methyl-2-nitro-phenyl)valeric acid Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5/c1-8-5-4-6-9(11(8)14(18)19)13(2,3)7-10(15)12(16)17/h4-6H,7H2,1-3H3,(H,16,17)