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

Systemtic Name: 3-(2-butoxy-3-methyl-6-nitro-phenyl)-2-oxidanylidene-propanoic acid Openeye Name: 3-(2-butoxy-3-methyl-6-nitro-phenyl)-2-oxo-propanoic acid CAS Name: 3-(2-butoxy-3-methyl-6-nitrophenyl)-2-oxopropanoic acid IUPAC Name: 3-(2-butoxy-3-methyl-6-nitrophenyl)-2-oxopropanoic acid Traditional Name: 3-(2-butoxy-3-methyl-6-nitro-phenyl)-2-keto-propionic acid Formula: C14H17NO6 MolecularWeight: 295.28788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1CC(=O)C(=O)O)[N+](=O)[O-])C

Isomeric SMILES

CCCCOC1=C(C=CC(=C1CC(=O)C(=O)O)[N+](=O)[O-])C

InChI

InChI=1S/C14H17NO6/c1-3-4-7-21-13-9(2)5-6-11(15(19)20)10(13)8-12(16)14(17)18/h5-6H,3-4,7-8H2,1-2H3,(H,17,18)