(2R)-2-(hexanoylamino)-3-(3-nitro-4-oxidanidyl-phenyl)propanoate

Systemtic Name: (2R)-2-(hexanoylamino)-3-(3-nitro-4-oxidanidyl-phenyl)propanoate Openeye Name: (2R)-2-(hexanoylamino)-3-(3-nitro-4-oxido-phenyl)propanoate CAS Name: (2R)-3-(3-nitro-4-oxidophenyl)-2-(1-oxohexylamino)propanoate IUPAC Name: (2R)-2-(hexanoylamino)-3-(3-nitro-4-oxidophenyl)propanoate Traditional Name: (2R)-2-(caproylamino)-3-(3-nitro-4-oxido-phenyl)propionate Formula: C15H18N2O6-2 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(CC1=CC(=C(C=C1)[O-])[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCC(=O)N[C@H](CC1=CC(=C(C=C1)[O-])[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H20N2O6/c1-2-3-4-5-14(19)16-11(15(20)21)8-10-6-7-13(18)12(9-10)17(22)23/h6-7,9,11,18H,2-5,8H2,1H3,(H,16,19)(H,20,21)/p-2/t11-/m1/s1