5-[(4-ethoxy-2-nitro-phenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(4-ethoxy-2-nitro-phenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-ethoxy-2-nitro-anilino)-5-oxo-pentanoic acid CAS Name: 5-(4-ethoxy-2-nitroanilino)-5-oxopentanoic acid IUPAC Name: 5-(4-ethoxy-2-nitroanilino)-5-oxopentanoic acid Traditional Name: 5-(4-ethoxy-2-nitro-anilino)-5-keto-valeric acid Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CCCC(=O)O)[N+](=O)[O-]

InChI

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