3-[[5-acetamido-4-[(5-ethanoyl-3-nitro-thiophen-2-yl)diazenyl]-2-methoxy-phenyl]-(2-hydroxyethyl)amino]propanoic acid

Systemtic Name: 3-[[5-acetamido-4-[(5-ethanoyl-3-nitro-thiophen-2-yl)diazenyl]-2-methoxy-phenyl]-(2-hydroxyethyl)amino]propanoic acid Openeye Name: 3-[5-acetamido-4-[(5-acetyl-3-nitro-2-thienyl)azo]-N-(2-hydroxyethyl)-2-methoxy-anilino]propanoic acid CAS Name: 3-[5-acetamido-4-[(5-acetyl-3-nitro-2-thiophenyl)azo]-N-(2-hydroxyethyl)-2-methoxyanilino]propanoic acid IUPAC Name: 3-[5-acetamido-4-[(5-acetyl-3-nitrothiophen-2-yl)diazenyl]-N-(2-hydroxyethyl)-2-methoxyanilino]propanoic acid Traditional Name: 3-[5-acetamido-4-[(5-acetyl-3-nitro-2-thienyl)azo]-N-(2-hydroxyethyl)-2-methoxy-anilino]propionic acid Formula: C20H23N5O8S MolecularWeight: 493.49032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(S1)N=NC2=CC(=C(C=C2NC(=O)C)N(CCC(=O)O)CCO)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(S1)N=NC2=CC(=C(C=C2NC(=O)C)N(CCC(=O)O)CCO)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O8S/c1-11(27)18-10-16(25(31)32)20(34-18)23-22-14-9-17(33-3)15(8-13(14)21-12(2)28)24(6-7-26)5-4-19(29)30/h8-10,26H,4-7H2,1-3H3,(H,21,28)(H,29,30)