3-(2-ethyl-3-methyl-6-nitro-phenyl)-2-oxidanylidene-propanoic acid

Systemtic Name: 3-(2-ethyl-3-methyl-6-nitro-phenyl)-2-oxidanylidene-propanoic acid Openeye Name: 3-(2-ethyl-3-methyl-6-nitro-phenyl)-2-oxo-propanoic acid CAS Name: 3-(2-ethyl-3-methyl-6-nitrophenyl)-2-oxopropanoic acid IUPAC Name: 3-(2-ethyl-3-methyl-6-nitrophenyl)-2-oxopropanoic acid Traditional Name: 3-(2-ethyl-3-methyl-6-nitro-phenyl)-2-keto-propionic acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1CC(=O)C(=O)O)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(C=CC(=C1CC(=O)C(=O)O)[N+](=O)[O-])C

InChI

InChI=1S/C12H13NO5/c1-3-8-7(2)4-5-10(13(17)18)9(8)6-11(14)12(15)16/h4-5H,3,6H2,1-2H3,(H,15,16)