4-(3-nitro-4-propan-2-yl-phenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(3-nitro-4-propan-2-yl-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-isopropyl-3-nitro-phenyl)-4-oxo-butanoic acid CAS Name: 4-(3-nitro-4-propan-2-ylphenyl)-4-oxobutanoic acid IUPAC Name: 4-(3-nitro-4-propan-2-ylphenyl)-4-oxobutanoic acid Traditional Name: 4-(4-isopropyl-3-nitro-phenyl)-4-keto-butyric acid Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5/c1-8(2)10-4-3-9(7-11(10)14(18)19)12(15)5-6-13(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)