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

Systemtic Name: 2-[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-ethoxy-6-nitro-phenoxy]propanoic acid Openeye Name: 2-[4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-ethoxy-6-nitro-phenoxy]propanoic acid CAS Name: 2-[4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-2-ethoxy-6-nitrophenoxy]propanoic acid IUPAC Name: 2-[4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-ethoxy-6-nitrophenoxy]propanoic acid Traditional Name: 2-[4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-ethoxy-6-nitro-phenoxy]propionic acid Formula: C21H19N3O8 MolecularWeight: 441.39086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OC(C)C(=O)O)[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC(=CC(=C1OC(C)C(=O)O)[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O8/c1-3-31-17-11-13(10-16(24(29)30)18(17)32-12(2)21(27)28)9-15-19(25)22-23(20(15)26)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,22,25)(H,27,28)