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

Systemtic Name: propan-2-yl 2-[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-6-nitro-phenoxy]ethanoate Openeye Name: isopropyl 2-[2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenoxy]acetate CAS Name: 2-[2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-6-nitrophenoxy]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]acetate Traditional Name: 2-[2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenoxy]acetic acid isopropyl ester Formula: C21H19N3O7 MolecularWeight: 425.39146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)COC1=C(C=CC=C1[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)COC1=C(C=CC=C1[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O7/c1-13(2)31-18(25)12-30-19-14(7-6-10-17(19)24(28)29)11-16-20(26)22-23(21(16)27)15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3,(H,22,26)