4-(4-methanoyl-3-methyl-5-nitro-phenoxy)butanoic acid

Systemtic Name: 4-(4-methanoyl-3-methyl-5-nitro-phenoxy)butanoic acid Openeye Name: 4-(4-formyl-3-methyl-5-nitro-phenoxy)butanoic acid CAS Name: 4-(4-formyl-3-methyl-5-nitrophenoxy)butanoic acid IUPAC Name: 4-(4-formyl-3-methyl-5-nitrophenoxy)butanoic acid Traditional Name: 4-(4-formyl-3-methyl-5-nitro-phenoxy)butyric acid Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C=O)[N+](=O)[O-])OCCCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1C=O)[N+](=O)[O-])OCCCC(=O)O

InChI

InChI=1S/C12H13NO6/c1-8-5-9(19-4-2-3-12(15)16)6-11(13(17)18)10(8)7-14/h5-7H,2-4H2,1H3,(H,15,16)