2-[(2,4-dinitrophenyl)sulfonyl-ethyl-amino]-3-(4-phenylmethoxyphenyl)propanoic acid

Systemtic Name: 2-[(2,4-dinitrophenyl)sulfonyl-ethyl-amino]-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: 3-(4-benzyloxyphenyl)-2-[(2,4-dinitrophenyl)sulfonyl-ethyl-amino]propanoic acid CAS Name: 2-[(2,4-dinitrophenyl)sulfonyl-ethylamino]-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: 2-[(2,4-dinitrophenyl)sulfonyl-ethylamino]-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: 3-(4-benzoxyphenyl)-2-[(2,4-dinitrophenyl)sulfonyl-ethyl-amino]propionic acid Formula: C24H23N3O9S MolecularWeight: 529.51912

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O9S/c1-2-25(37(34,35)23-13-10-19(26(30)31)15-21(23)27(32)33)22(24(28)29)14-17-8-11-20(12-9-17)36-16-18-6-4-3-5-7-18/h3-13,15,22H,2,14,16H2,1H3,(H,28,29)