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

Systemtic Name: 3-[[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-6-nitro-phenoxy]methyl]benzoic acid Openeye Name: 3-[[2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenoxy]methyl]benzoic acid CAS Name: 3-[[2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-6-nitrophenoxy]methyl]benzoic acid IUPAC Name: 3-[[2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]methyl]benzoic acid Traditional Name: 3-[[2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenoxy]methyl]benzoic acid Formula: C24H17N3O7 MolecularWeight: 459.40768

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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-])OCC4=CC=CC(=C4)C(=O)O)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC3=C(C(=CC=C3)[N+](=O)[O-])OCC4=CC=CC(=C4)C(=O)O)C(=O)N2

InChI

InChI=1S/C24H17N3O7/c28-22-19(23(29)26(25-22)18-9-2-1-3-10-18)13-16-7-5-11-20(27(32)33)21(16)34-14-15-6-4-8-17(12-15)24(30)31/h1-13H,14H2,(H,25,28)(H,30,31)