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2-(dodecanoylamino)-3-(3-nitro-4-oxidanyl-phenyl)propanoic acid

2-(dodecanoylamino)-3-(3-nitro-4-oxidanyl-phenyl)propanoic acid

Systemtic Name:2-(dodecanoylamino)-3-(3-nitro-4-oxidanyl-phenyl)propanoic acid
Openeye Name:2-(dodecanoylamino)-3-(4-hydroxy-3-nitro-phenyl)propanoic acid
CAS Name:3-(4-hydroxy-3-nitrophenyl)-2-(1-oxododecylamino)propanoic acid
IUPAC Name:2-(dodecanoylamino)-3-(4-hydroxy-3-nitrophenyl)propanoic acid
Traditional Name:3-(4-hydroxy-3-nitro-phenyl)-2-(lauroylamino)propionic acid
Formula: C21H32N2O6
MolecularWeight: 408.48858
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H32N2O6/c1-2-3-4-5-6-7-8-9-10-11-20(25)22-17(21(26)27)14-16-12-13-19(24)18(15-16)23(28)29/h12-13,15,17,24H,2-11,14H2,1H3,(H,22,25)(H,26,27)


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