2-benzamido-3-[3,5-bis(bromanyl)-4-(2,4-dinitrophenoxy)phenyl]propanoic acid

Systemtic Name: 2-benzamido-3-[3,5-bis(bromanyl)-4-(2,4-dinitrophenoxy)phenyl]propanoic acid Openeye Name: 2-benzamido-3-[3,5-dibromo-4-(2,4-dinitrophenoxy)phenyl]propanoic acid CAS Name: 2-benzamido-3-[3,5-dibromo-4-(2,4-dinitrophenoxy)phenyl]propanoic acid IUPAC Name: 2-benzamido-3-[3,5-dibromo-4-(2,4-dinitrophenoxy)phenyl]propanoic acid Traditional Name: 2-benzamido-3-[3,5-dibromo-4-(2,4-dinitrophenoxy)phenyl]propionic acid Formula: C22H15Br2N3O8 MolecularWeight: 609.1778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CC2=CC(=C(C(=C2)Br)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CC2=CC(=C(C(=C2)Br)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Br)C(=O)O

InChI

InChI=1S/C22H15Br2N3O8/c23-15-8-12(10-17(22(29)30)25-21(28)13-4-2-1-3-5-13)9-16(24)20(15)35-19-7-6-14(26(31)32)11-18(19)27(33)34/h1-9,11,17H,10H2,(H,25,28)(H,29,30)