2-[3-[(3-nitrophenyl)amino]-3-oxidanylidene-propyl]hexanoic acid

Systemtic Name: 2-[3-[(3-nitrophenyl)amino]-3-oxidanylidene-propyl]hexanoic acid Openeye Name: 2-[3-(3-nitroanilino)-3-oxo-propyl]hexanoic acid CAS Name: 2-[3-(3-nitroanilino)-3-oxopropyl]hexanoic acid IUPAC Name: 2-[3-(3-nitroanilino)-3-oxopropyl]hexanoic acid Traditional Name: 2-[3-keto-3-(3-nitroanilino)propyl]hexanoic acid Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O5/c1-2-3-5-11(15(19)20)8-9-14(18)16-12-6-4-7-13(10-12)17(21)22/h4,6-7,10-11H,2-3,5,8-9H2,1H3,(H,16,18)(H,19,20)