2-[decanoyl-[(2,4-dinitrophenyl)amino]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[decanoyl-[(2,4-dinitrophenyl)amino]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[decanoyl-(2,4-dinitroanilino)amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[(2,4-dinitroanilino)-(1-oxodecyl)amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[decanoyl-(2,4-dinitroanilino)amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[capryl-(2,4-dinitroanilino)amino]-3-(4-hydroxyphenyl)propionic acid Formula: C25H32N4O8 MolecularWeight: 516.54358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)N(C(CC1=CC=C(C=C1)O)C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCC(=O)N(C(CC1=CC=C(C=C1)O)C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H32N4O8/c1-2-3-4-5-6-7-8-9-24(31)27(23(25(32)33)16-18-10-13-20(30)14-11-18)26-21-15-12-19(28(34)35)17-22(21)29(36)37/h10-15,17,23,26,30H,2-9,16H2,1H3,(H,32,33)