2-(hexanoylamino)-3-(4-methoxy-3-nitro-phenyl)propanoic acid

Systemtic Name: 2-(hexanoylamino)-3-(4-methoxy-3-nitro-phenyl)propanoic acid Openeye Name: 2-(hexanoylamino)-3-(4-methoxy-3-nitro-phenyl)propanoic acid CAS Name: 3-(4-methoxy-3-nitrophenyl)-2-(1-oxohexylamino)propanoic acid IUPAC Name: 2-(hexanoylamino)-3-(4-methoxy-3-nitrophenyl)propanoic acid Traditional Name: 2-(caproylamino)-3-(4-methoxy-3-nitro-phenyl)propionic acid Formula: C16H22N2O6 MolecularWeight: 338.35568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6/c1-3-4-5-6-15(19)17-12(16(20)21)9-11-7-8-14(24-2)13(10-11)18(22)23/h7-8,10,12H,3-6,9H2,1-2H3,(H,17,19)(H,20,21)