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

Systemtic Name: 2-[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-bromanyl-6-nitro-phenoxy]ethanenitrile Openeye Name: 2-[4-bromo-2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenoxy]acetonitrile CAS Name: 2-[4-bromo-2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-6-nitrophenoxy]acetonitrile IUPAC Name: 2-[4-bromo-2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]acetonitrile Traditional Name: 2-[4-bromo-2-[(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(=CC(=C3OCC#N)[N+](=O)[O-])Br)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=CC(=C3OCC#N)[N+](=O)[O-])Br)C(=O)N2

InChI

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