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

Systemtic Name: 2-[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-nitro-phenoxy]ethanoic acid Openeye Name: 2-[4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-nitro-phenoxy]acetic acid CAS Name: 2-[4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-2-nitrophenoxy]acetic acid IUPAC Name: 2-[4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-nitrophenoxy]acetic acid Traditional Name: 2-[4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-nitro-phenoxy]acetic acid Formula: C18H13N3O7 MolecularWeight: 383.31172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O7/c22-16(23)10-28-15-7-6-11(9-14(15)21(26)27)8-13-17(24)19-20(18(13)25)12-4-2-1-3-5-12/h1-9H,10H2,(H,19,24)(H,22,23)