azanium 2-(dodecanoylamino)-3-(4-methoxy-3-nitro-phenyl)propanoate

Systemtic Name: azanium 2-(dodecanoylamino)-3-(4-methoxy-3-nitro-phenyl)propanoate Openeye Name: ammonium 2-(dodecanoylamino)-3-(4-methoxy-3-nitro-phenyl)propanoate CAS Name: ammonium 3-(4-methoxy-3-nitrophenyl)-2-(1-oxododecylamino)propanoate IUPAC Name: azanium 2-(dodecanoylamino)-3-(4-methoxy-3-nitrophenyl)propanoate Traditional Name: ammonium 2-(lauroylamino)-3-(4-methoxy-3-nitro-phenyl)propionate Formula: C22H37N3O6 MolecularWeight: 439.54568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CC1=CC(=C(C=C1)OC)[N+](=O)[O-])C(=O)[O-].[NH4+]

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(CC1=CC(=C(C=C1)OC)[N+](=O)[O-])C(=O)[O-].[NH4+]

InChI

InChI=1S/C22H34N2O6.H3N/c1-3-4-5-6-7-8-9-10-11-12-21(25)23-18(22(26)27)15-17-13-14-20(30-2)19(16-17)24(28)29;/h13-14,16,18H,3-12,15H2,1-2H3,(H,23,25)(H,26,27);1H3