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

Systemtic Name: 2-[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-bromanyl-6-nitro-phenoxy]propanoic acid Openeye Name: 2-[4-bromo-2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenoxy]propanoic acid CAS Name: 2-[4-bromo-2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-6-nitrophenoxy]propanoic acid IUPAC Name: 2-[4-bromo-2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]propanoic acid Traditional Name: 2-[4-bromo-2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenoxy]propionic acid Formula: C19H14BrN3O7 MolecularWeight: 476.23436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=C(C=C(C=C1C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)OC1=C(C=C(C=C1C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H14BrN3O7/c1-10(19(26)27)30-16-11(7-12(20)9-15(16)23(28)29)8-14-17(24)21-22(18(14)25)13-5-3-2-4-6-13/h2-10H,1H3,(H,21,24)(H,26,27)