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

Systemtic Name: methyl 2-[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-6-nitro-phenoxy]propanoate Openeye Name: methyl 2-[2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenoxy]propanoate CAS Name: 2-[2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-6-nitrophenoxy]propanoic acid methyl ester IUPAC Name: methyl 2-[2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]propanoate Traditional Name: 2-[2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenoxy]propionic acid methyl ester Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O7/c1-12(20(26)29-2)30-17-13(7-6-10-16(17)23(27)28)11-15-18(24)21-22(19(15)25)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,21,24)