2-azanyl-3-[2-[2-(5-nitro-2,3-dihydro-1-benzofuran-3-yl)ethanoyl]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-[2-(5-nitro-2,3-dihydro-1-benzofuran-3-yl)ethanoyl]phenyl]propanoic acid Openeye Name: 2-amino-3-[2-[2-(5-nitro-2,3-dihydrobenzofuran-3-yl)acetyl]phenyl]propanoic acid CAS Name: 2-amino-3-[2-[2-(5-nitro-2,3-dihydrobenzofuran-3-yl)-1-oxoethyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[2-[2-(5-nitro-2,3-dihydro-1-benzofuran-3-yl)acetyl]phenyl]propanoic acid Traditional Name: 2-amino-3-[2-[2-(5-nitrocoumaran-3-yl)acetyl]phenyl]propionic acid Formula: C19H18N2O6 MolecularWeight: 370.35602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)C3=CC=CC=C3CC(C(=O)O)N

Isomeric SMILES

C1C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)C3=CC=CC=C3CC(C(=O)O)N

InChI

InChI=1S/C19H18N2O6/c20-16(19(23)24)7-11-3-1-2-4-14(11)17(22)8-12-10-27-18-6-5-13(21(25)26)9-15(12)18/h1-6,9,12,16H,7-8,10,20H2,(H,23,24)