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

Systemtic Name: 2-[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-methoxy-6-nitro-phenoxy]ethanoic acid Openeye Name: 2-[4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitro-phenoxy]acetic acid CAS Name: 2-[4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-2-methoxy-6-nitrophenoxy]acetic acid IUPAC Name: 2-[4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitrophenoxy]acetic acid Traditional Name: 2-[4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-methoxy-6-nitro-phenoxy]acetic acid Formula: C19H15N3O8 MolecularWeight: 413.3377

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC(=O)O)[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OCC(=O)O)[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C19H15N3O8/c1-29-15-9-11(8-14(22(27)28)17(15)30-10-16(23)24)7-13-18(25)20-21(19(13)26)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,20,25)(H,23,24)