2-[2-(4,5-dimethoxy-2-nitro-phenyl)propoxycarbonylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[2-(4,5-dimethoxy-2-nitro-phenyl)propoxycarbonylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[2-(4,5-dimethoxy-2-nitro-phenyl)propoxycarbonylamino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[2-(4,5-dimethoxy-2-nitrophenyl)propoxy-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[2-(4,5-dimethoxy-2-nitrophenyl)propoxycarbonylamino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[2-(4,5-dimethoxy-2-nitro-phenyl)propoxycarbonylamino]-3-(4-hydroxyphenyl)propionic acid Formula: C21H24N2O9 MolecularWeight: 448.42326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(COC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H24N2O9/c1-12(15-9-18(30-2)19(31-3)10-17(15)23(28)29)11-32-21(27)22-16(20(25)26)8-13-4-6-14(24)7-5-13/h4-7,9-10,12,16,24H,8,11H2,1-3H3,(H,22,27)(H,25,26)