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

Systemtic Name: 2-[(2,4-dinitrophenyl)sulfonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: 3-(4-benzyloxyphenyl)-2-[(2,4-dinitrophenyl)sulfonylamino]propanoic acid CAS Name: 2-[(2,4-dinitrophenyl)sulfonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: 2-[(2,4-dinitrophenyl)sulfonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: 3-(4-benzoxyphenyl)-2-[(2,4-dinitrophenyl)sulfonylamino]propionic acid Formula: C22H19N3O9S MolecularWeight: 501.46596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O9S/c26-22(27)19(12-15-6-9-18(10-7-15)34-14-16-4-2-1-3-5-16)23-35(32,33)21-11-8-17(24(28)29)13-20(21)25(30)31/h1-11,13,19,23H,12,14H2,(H,26,27)