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

Systemtic Name: methyl 2-[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-bromanyl-6-nitro-phenoxy]propanoate Openeye Name: methyl 2-[4-bromo-2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenoxy]propanoate CAS Name: 2-[4-bromo-2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-6-nitrophenoxy]propanoic acid methyl ester IUPAC Name: methyl 2-[4-bromo-2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]propanoate Traditional Name: 2-[4-bromo-2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenoxy]propionic acid methyl ester Formula: C20H16BrN3O7 MolecularWeight: 490.26094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)OC1=C(C=C(C=C1C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OC)OC1=C(C=C(C=C1C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H16BrN3O7/c1-11(20(27)30-2)31-17-12(8-13(21)10-16(17)24(28)29)9-15-18(25)22-23(19(15)26)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,22,25)