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

Systemtic Name: [2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-bromanyl-6-nitro-phenyl] ethanoate Openeye Name: [4-bromo-2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenyl] acetate CAS Name: acetic acid [4-bromo-2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-6-nitrophenyl] ester IUPAC Name: [4-bromo-2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenyl] acetate Traditional Name: acetic acid [4-bromo-2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenyl] ester Formula: C18H12BrN3O6 MolecularWeight: 446.20838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12BrN3O6/c1-10(23)28-16-11(7-12(19)9-15(16)22(26)27)8-14-17(24)20-21(18(14)25)13-5-3-2-4-6-13/h2-9H,1H3,(H,20,24)