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

Systemtic Name: 4-[[3-chloranyl-4-[(2-methylpropan-2-yl)oxy]-5-nitro-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(4-tert-butoxy-3-chloro-5-nitro-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[3-chloro-4-[(2-methylpropan-2-yl)oxy]-5-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[3-chloro-4-[(2-methylpropan-2-yl)oxy]-5-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(4-tert-butoxy-3-chloro-5-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=C1Cl)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC1=C(C=C(C=C1Cl)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

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