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

Systemtic Name: 2-[[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-6-nitro-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenoxy]methyl]benzonitrile CAS Name: 2-[[2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-6-nitrophenoxy]methyl]benzonitrile IUPAC Name: 2-[[2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]methyl]benzonitrile Traditional Name: 2-[[2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenoxy]methyl]benzonitrile Formula: C24H16N4O5 MolecularWeight: 440.40764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=C(C(=CC=C3)[N+](=O)[O-])OCC4=CC=CC=C4C#N)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC3=C(C(=CC=C3)[N+](=O)[O-])OCC4=CC=CC=C4C#N)C(=O)N2

InChI

InChI=1S/C24H16N4O5/c25-14-17-7-4-5-8-18(17)15-33-22-16(9-6-12-21(22)28(31)32)13-20-23(29)26-27(24(20)30)19-10-2-1-3-11-19/h1-13H,15H2,(H,26,29)