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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC(=O)O)[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC(=O)O)[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O8/c1-2-30-16-10-12(9-15(23(28)29)18(16)31-11-17(24)25)8-14-19(26)21-22(20(14)27)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,21,26)(H,24,25)