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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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