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

Systemtic Name: 5-(2-methanoyl-4-methyl-3-nitro-phenoxy)pentanoic acid Openeye Name: 5-(2-formyl-4-methyl-3-nitro-phenoxy)pentanoic acid CAS Name: 5-(2-formyl-4-methyl-3-nitrophenoxy)pentanoic acid IUPAC Name: 5-(2-formyl-4-methyl-3-nitrophenoxy)pentanoic acid Traditional Name: 5-(2-formyl-4-methyl-3-nitro-phenoxy)valeric acid Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6/c1-9-5-6-11(10(8-15)13(9)14(18)19)20-7-3-2-4-12(16)17/h5-6,8H,2-4,7H2,1H3,(H,16,17)