5-[(5-nitro-2-oxidanyl-phenyl)amino]-5-oxidanylidene-2-propyl-pentanoic acid

Systemtic Name: 5-[(5-nitro-2-oxidanyl-phenyl)amino]-5-oxidanylidene-2-propyl-pentanoic acid Openeye Name: 5-(2-hydroxy-5-nitro-anilino)-5-oxo-2-propyl-pentanoic acid CAS Name: 5-(2-hydroxy-5-nitroanilino)-5-oxo-2-propylpentanoic acid IUPAC Name: 5-(2-hydroxy-5-nitroanilino)-5-oxo-2-propylpentanoic acid Traditional Name: 5-(2-hydroxy-5-nitro-anilino)-5-keto-2-propyl-valeric acid Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])O)C(=O)O

Isomeric SMILES

CCCC(CCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])O)C(=O)O

InChI

InChI=1S/C14H18N2O6/c1-2-3-9(14(19)20)4-7-13(18)15-11-8-10(16(21)22)5-6-12(11)17/h5-6,8-9,17H,2-4,7H2,1H3,(H,15,18)(H,19,20)