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

Systemtic Name: 4-(2-methyl-3-nitro-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-methyl-3-nitro-phenyl)-4-oxo-butanoic acid CAS Name: 4-(2-methyl-3-nitrophenyl)-4-oxobutanoic acid IUPAC Name: 4-(2-methyl-3-nitrophenyl)-4-oxobutanoic acid Traditional Name: 4-keto-4-(2-methyl-3-nitro-phenyl)butyric acid Formula: C11H11NO5 MolecularWeight: 237.20874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO5/c1-7-8(10(13)5-6-11(14)15)3-2-4-9(7)12(16)17/h2-4H,5-6H2,1H3,(H,14,15)