4-(2-methanoyl-5-methyl-3-nitro-phenoxy)butanoic acid

Systemtic Name: 4-(2-methanoyl-5-methyl-3-nitro-phenoxy)butanoic acid Openeye Name: 4-(2-formyl-5-methyl-3-nitro-phenoxy)butanoic acid CAS Name: 4-(2-formyl-5-methyl-3-nitrophenoxy)butanoic acid IUPAC Name: 4-(2-formyl-5-methyl-3-nitrophenoxy)butanoic acid Traditional Name: 4-(2-formyl-5-methyl-3-nitro-phenoxy)butyric acid Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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