4-[[5-chloranyl-2-[(2-methylpropan-2-yl)oxy]-3-nitro-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-[[5-chloranyl-2-[(2-methylpropan-2-yl)oxy]-3-nitro-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(2-tert-butoxy-5-chloro-3-nitro-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[5-chloro-2-[(2-methylpropan-2-yl)oxy]-3-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[5-chloro-2-[(2-methylpropan-2-yl)oxy]-3-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(2-tert-butoxy-5-chloro-3-nitro-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C20H18ClN3O5 MolecularWeight: 415.82702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O5/c1-20(2,3)29-17-12(9-13(21)11-16(17)24(27)28)10-15-18(25)22-23(19(15)26)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,22,25)