2-acetamido-3-[3-[2-[(3-nitro-4-oxidanyl-phenyl)amino]propanoyl]-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 2-acetamido-3-[3-[2-[(3-nitro-4-oxidanyl-phenyl)amino]propanoyl]-4-oxidanyl-phenyl]propanoic acid Openeye Name: 2-acetamido-3-[4-hydroxy-3-[2-(4-hydroxy-3-nitro-anilino)propanoyl]phenyl]propanoic acid CAS Name: 2-acetamido-3-[4-hydroxy-3-[2-(4-hydroxy-3-nitroanilino)-1-oxopropyl]phenyl]propanoic acid IUPAC Name: 2-acetamido-3-[4-hydroxy-3-[2-(4-hydroxy-3-nitroanilino)propanoyl]phenyl]propanoic acid Traditional Name: 2-acetamido-3-[4-hydroxy-3-[2-(4-hydroxy-3-nitro-anilino)propanoyl]phenyl]propionic acid Formula: C20H21N3O8 MolecularWeight: 431.39604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(C=CC(=C1)CC(C(=O)O)NC(=O)C)O)NC2=CC(=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1=C(C=CC(=C1)CC(C(=O)O)NC(=O)C)O)NC2=CC(=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O8/c1-10(21-13-4-6-18(26)16(9-13)23(30)31)19(27)14-7-12(3-5-17(14)25)8-15(20(28)29)22-11(2)24/h3-7,9-10,15,21,25-26H,8H2,1-2H3,(H,22,24)(H,28,29)