3-[2-nitro-4,5-bis(phenylmethoxy)phenyl]-2-oxidanylidene-propanoic acid

Systemtic Name: 3-[2-nitro-4,5-bis(phenylmethoxy)phenyl]-2-oxidanylidene-propanoic acid Openeye Name: 3-(4,5-dibenzyloxy-2-nitro-phenyl)-2-oxo-propanoic acid CAS Name: 3-[2-nitro-4,5-bis(phenylmethoxy)phenyl]-2-oxopropanoic acid IUPAC Name: 3-[2-nitro-4,5-bis(phenylmethoxy)phenyl]-2-oxopropanoic acid Traditional Name: 3-(4,5-dibenzoxy-2-nitro-phenyl)-2-keto-propionic acid Formula: C23H19NO7 MolecularWeight: 421.39946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C(=C2)CC(=O)C(=O)O)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C(=C2)CC(=O)C(=O)O)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C23H19NO7/c25-20(23(26)27)11-18-12-21(30-14-16-7-3-1-4-8-16)22(13-19(18)24(28)29)31-15-17-9-5-2-6-10-17/h1-10,12-13H,11,14-15H2,(H,26,27)