4-methyl-5-(2-nitrophenyl)-3-oxidanylidene-pentanoic acid

Systemtic Name: 4-methyl-5-(2-nitrophenyl)-3-oxidanylidene-pentanoic acid Openeye Name: 4-methyl-5-(2-nitrophenyl)-3-oxo-pentanoic acid CAS Name: 4-methyl-5-(2-nitrophenyl)-3-oxopentanoic acid IUPAC Name: 4-methyl-5-(2-nitrophenyl)-3-oxopentanoic acid Traditional Name: 3-keto-4-methyl-5-(2-nitrophenyl)valeric acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c1-8(11(14)7-12(15)16)6-9-4-2-3-5-10(9)13(17)18/h2-5,8H,6-7H2,1H3,(H,15,16)