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

Systemtic Name: ethyl 2-[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-ethoxy-6-nitro-phenoxy]ethanoate Openeye Name: ethyl 2-[4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-ethoxy-6-nitro-phenoxy]acetate CAS Name: 2-[4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-2-ethoxy-6-nitrophenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-ethoxy-6-nitrophenoxy]acetate Traditional Name: 2-[4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-ethoxy-6-nitro-phenoxy]acetic acid ethyl ester Formula: C22H21N3O8 MolecularWeight: 455.41744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O8/c1-3-31-18-12-14(11-17(25(29)30)20(18)33-13-19(26)32-4-2)10-16-21(27)23-24(22(16)28)15-8-6-5-7-9-15/h5-12H,3-4,13H2,1-2H3,(H,23,27)