2-ethyl-5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-ethyl-5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-ethyl-5-(3-nitroanilino)-5-oxo-pentanoic acid CAS Name: 2-ethyl-5-(3-nitroanilino)-5-oxopentanoic acid IUPAC Name: 2-ethyl-5-(3-nitroanilino)-5-oxopentanoic acid Traditional Name: 2-ethyl-5-keto-5-(3-nitroanilino)valeric acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-2-9(13(17)18)6-7-12(16)14-10-4-3-5-11(8-10)15(19)20/h3-5,8-9H,2,6-7H2,1H3,(H,14,16)(H,17,18)