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

Systemtic Name: 2-[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-ethoxy-6-nitro-phenoxy]ethanenitrile Openeye Name: 2-[4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-ethoxy-6-nitro-phenoxy]acetonitrile CAS Name: 2-[4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-2-ethoxy-6-nitrophenoxy]acetonitrile IUPAC Name: 2-[4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-ethoxy-6-nitrophenoxy]acetonitrile Traditional Name: 2-[4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-ethoxy-6-nitro-phenoxy]acetonitrile Formula: C20H16N4O6 MolecularWeight: 408.36424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O6/c1-2-29-17-12-13(11-16(24(27)28)18(17)30-9-8-21)10-15-19(25)22-23(20(15)26)14-6-4-3-5-7-14/h3-7,10-12H,2,9H2,1H3,(H,22,25)