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

Systemtic Name: 2-[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-nitro-phenoxy]propanoic acid Openeye Name: 2-[2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-4-nitro-phenoxy]propanoic acid CAS Name: 2-[2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-4-nitrophenoxy]propanoic acid IUPAC Name: 2-[2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-4-nitrophenoxy]propanoic acid Traditional Name: 2-[2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-4-nitro-phenoxy]propionic acid Formula: C19H15N3O7 MolecularWeight: 397.3383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=C(C=C(C=C1)[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)O)OC1=C(C=C(C=C1)[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C19H15N3O7/c1-11(19(25)26)29-16-8-7-14(22(27)28)9-12(16)10-15-17(23)20-21(18(15)24)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,23)(H,25,26)