2-[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-methoxy-6-nitro-phenoxy]propanoic acid

Systemtic Name: 2-[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-methoxy-6-nitro-phenoxy]propanoic acid Openeye Name: 2-[4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitro-phenoxy]propanoic acid CAS Name: 2-[4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-2-methoxy-6-nitrophenoxy]propanoic acid IUPAC Name: 2-[4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy]propanoic acid Traditional Name: 2-[4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitro-phenoxy]propionic acid Formula: C20H17N3O8 MolecularWeight: 427.36428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=C(C=C(C=C1OC)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)OC1=C(C=C(C=C1OC)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O8/c1-11(20(26)27)31-17-15(23(28)29)9-12(10-16(17)30-2)8-14-18(24)21-22(19(14)25)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,21,24)(H,26,27)