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

Systemtic Name: 2-[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-6-nitro-phenoxy]ethanenitrile Openeye Name: 2-[2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenoxy]acetonitrile CAS Name: 2-[2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-6-nitrophenoxy]acetonitrile IUPAC Name: 2-[2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]acetonitrile Traditional Name: 2-[2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenoxy]acetonitrile Formula: C18H12N4O5 MolecularWeight: 364.31168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=C(C(=CC=C3)[N+](=O)[O-])OCC#N)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC3=C(C(=CC=C3)[N+](=O)[O-])OCC#N)C(=O)N2

InChI

InChI=1S/C18H12N4O5/c19-9-10-27-16-12(5-4-8-15(16)22(25)26)11-14-17(23)20-21(18(14)24)13-6-2-1-3-7-13/h1-8,11H,10H2,(H,20,23)