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

Systemtic Name: 2-[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-bromanyl-6-nitro-phenoxy]ethanoic acid Openeye Name: 2-[4-bromo-2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenoxy]acetic acid CAS Name: 2-[4-bromo-2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-6-nitrophenoxy]acetic acid IUPAC Name: 2-[4-bromo-2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]acetic acid Traditional Name: 2-[4-bromo-2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenoxy]acetic acid Formula: C18H12BrN3O7 MolecularWeight: 462.20778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12BrN3O7/c19-11-6-10(16(29-9-15(23)24)14(8-11)22(27)28)7-13-17(25)20-21(18(13)26)12-4-2-1-3-5-12/h1-8H,9H2,(H,20,25)(H,23,24)