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

Systemtic Name: 2-[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-bromanyl-6-nitro-phenoxy]ethanenitrile Openeye Name: 2-[2-bromo-4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenoxy]acetonitrile CAS Name: 2-[2-bromo-4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-6-nitrophenoxy]acetonitrile IUPAC Name: 2-[2-bromo-4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]acetonitrile Traditional Name: 2-[2-bromo-4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenoxy]acetonitrile Formula: C18H11BrN4O5 MolecularWeight: 443.20774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11BrN4O5/c19-14-9-11(10-15(23(26)27)16(14)28-7-6-20)8-13-17(24)21-22(18(13)25)12-4-2-1-3-5-12/h1-5,8-10H,7H2,(H,21,24)