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

Systemtic Name: 2-[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-6-nitro-phenoxy]ethanoic acid Openeye Name: 2-[2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenoxy]acetic acid CAS Name: 2-[2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-6-nitrophenoxy]acetic acid IUPAC Name: 2-[2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]acetic acid Traditional Name: 2-[2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-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=C(C(=CC=C3)[N+](=O)[O-])OCC(=O)O)C(=O)N2

Isomeric SMILES

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

InChI

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