6-[(2-methoxy-5-nitro-phenyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(2-methoxy-5-nitro-phenyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-(2-methoxy-5-nitro-anilino)-6-oxo-hexanoic acid CAS Name: 6-(2-methoxy-5-nitroanilino)-6-oxohexanoic acid IUPAC Name: 6-(2-methoxy-5-nitroanilino)-6-oxohexanoic acid Traditional Name: 6-keto-6-(2-methoxy-5-nitro-anilino)hexanoic acid Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCCCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCCCC(=O)O

InChI

InChI=1S/C13H16N2O6/c1-21-11-7-6-9(15(19)20)8-10(11)14-12(16)4-2-3-5-13(17)18/h6-8H,2-5H2,1H3,(H,14,16)(H,17,18)