3-[2-nitro-5-(2-phenylmethoxyethoxy)phenyl]-2-oxidanylidene-propanoic acid

Systemtic Name: 3-[2-nitro-5-(2-phenylmethoxyethoxy)phenyl]-2-oxidanylidene-propanoic acid Openeye Name: 3-[5-(2-benzyloxyethoxy)-2-nitro-phenyl]-2-oxo-propanoic acid CAS Name: 3-[2-nitro-5-(2-phenylmethoxyethoxy)phenyl]-2-oxopropanoic acid IUPAC Name: 3-[2-nitro-5-(2-phenylmethoxyethoxy)phenyl]-2-oxopropanoic acid Traditional Name: 3-[5-(2-benzoxyethoxy)-2-nitro-phenyl]-2-keto-propionic acid Formula: C18H17NO7 MolecularWeight: 359.33008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCOC2=CC(=C(C=C2)[N+](=O)[O-])CC(=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COCCOC2=CC(=C(C=C2)[N+](=O)[O-])CC(=O)C(=O)O

InChI

InChI=1S/C18H17NO7/c20-17(18(21)22)11-14-10-15(6-7-16(14)19(23)24)26-9-8-25-12-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,21,22)