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

Systemtic Name: 2-[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-methoxy-6-nitro-phenoxy]ethanenitrile Openeye Name: 2-[4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitro-phenoxy]acetonitrile CAS Name: 2-[4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-2-methoxy-6-nitrophenoxy]acetonitrile IUPAC Name: 2-[4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy]acetonitrile Traditional Name: 2-[4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitro-phenoxy]acetonitrile Formula: C19H14N4O6 MolecularWeight: 394.33766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC#N)[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OCC#N)[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C19H14N4O6/c1-28-16-11-12(10-15(23(26)27)17(16)29-8-7-20)9-14-18(24)21-22(19(14)25)13-5-3-2-4-6-13/h2-6,9-11H,8H2,1H3,(H,21,24)