(2R)-2-[3-[(5-nitro-2-oxidanyl-phenyl)amino]-3-oxidanylidene-propyl]hexanoate

Systemtic Name: (2R)-2-[3-[(5-nitro-2-oxidanyl-phenyl)amino]-3-oxidanylidene-propyl]hexanoate Openeye Name: (2R)-2-[3-(2-hydroxy-5-nitro-anilino)-3-oxo-propyl]hexanoate CAS Name: (2R)-2-[3-(2-hydroxy-5-nitroanilino)-3-oxopropyl]hexanoate IUPAC Name: (2R)-2-[3-(2-hydroxy-5-nitroanilino)-3-oxopropyl]hexanoate Traditional Name: (2R)-2-[3-(2-hydroxy-5-nitro-anilino)-3-keto-propyl]hexanoate Formula: C15H19N2O6- MolecularWeight: 323.32116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O6/c1-2-3-4-10(15(20)21)5-8-14(19)16-12-9-11(17(22)23)6-7-13(12)18/h6-7,9-10,18H,2-5,8H2,1H3,(H,16,19)(H,20,21)/p-1/t10-/m1/s1