(2R)-2-ethyl-5-[(5-nitro-2-oxidanidyl-phenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: (2R)-2-ethyl-5-[(5-nitro-2-oxidanidyl-phenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: (2R)-2-ethyl-5-(5-nitro-2-oxido-anilino)-5-oxo-pentanoate CAS Name: (2R)-2-ethyl-5-(5-nitro-2-oxidoanilino)-5-oxopentanoate IUPAC Name: (2R)-2-ethyl-5-(5-nitro-2-oxidoanilino)-5-oxopentanoate Traditional Name: (2R)-2-ethyl-5-keto-5-(5-nitro-2-oxido-anilino)valerate Formula: C13H14N2O6-2 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c1-2-8(13(18)19)3-6-12(17)14-10-7-9(15(20)21)4-5-11(10)16/h4-5,7-8,16H,2-3,6H2,1H3,(H,14,17)(H,18,19)/p-2/t8-/m1/s1