2-[(3,5-dinitrophenyl)carbonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid

Systemtic Name: 2-[(3,5-dinitrophenyl)carbonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: 3-(4-benzyloxyphenyl)-2-[(3,5-dinitrobenzoyl)amino]propanoic acid CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: 2-[(3,5-dinitrobenzoyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: 3-(4-benzoxyphenyl)-2-[(3,5-dinitrobenzoyl)amino]propionic acid Formula: C23H19N3O8 MolecularWeight: 465.41226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O8/c27-22(17-11-18(25(30)31)13-19(12-17)26(32)33)24-21(23(28)29)10-15-6-8-20(9-7-15)34-14-16-4-2-1-3-5-16/h1-9,11-13,21H,10,14H2,(H,24,27)(H,28,29)