3-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)-2-oxidanylidene-propanoic acid

Systemtic Name: 3-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)-2-oxidanylidene-propanoic acid Openeye Name: 3-(4-benzyloxy-5-methoxy-2-nitro-phenyl)-2-oxo-propanoic acid CAS Name: 3-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)-2-oxopropanoic acid IUPAC Name: 3-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)-2-oxopropanoic acid Traditional Name: 3-(4-benzoxy-5-methoxy-2-nitro-phenyl)-2-keto-propionic acid Formula: C17H15NO7 MolecularWeight: 345.3035

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)C(=O)O)[N+](=O)[O-])OCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)C(=O)O)[N+](=O)[O-])OCC2=CC=CC=C2

InChI

InChI=1S/C17H15NO7/c1-24-15-8-12(7-14(19)17(20)21)13(18(22)23)9-16(15)25-10-11-5-3-2-4-6-11/h2-6,8-9H,7,10H2,1H3,(H,20,21)