(1E)-1-[[5-(2-methylbutan-2-yl)-3-nitro-2-oxidanyl-phenyl]hydrazinylidene]naphthalen-2-one

Systemtic Name: (1E)-1-[[5-(2-methylbutan-2-yl)-3-nitro-2-oxidanyl-phenyl]hydrazinylidene]naphthalen-2-one Openeye Name: (1E)-1-[[5-(1,1-dimethylpropyl)-2-hydroxy-3-nitro-phenyl]hydrazono]naphthalen-2-one CAS Name: (1E)-1-[[2-hydroxy-5-(2-methylbutan-2-yl)-3-nitrophenyl]hydrazinylidene]-2-naphthalenone IUPAC Name: (1E)-1-[[2-hydroxy-5-(2-methylbutan-2-yl)-3-nitrophenyl]hydrazinylidene]naphthalen-2-one Traditional Name: (1E)-1-[(5-tert-amyl-2-hydroxy-3-nitro-phenyl)hydrazono]naphthalen-2-one Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])O)NN=C2C(=O)C=CC3=CC=CC=C32

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])O)N/N=C\2/C(=O)C=CC3=CC=CC=C32

InChI

InChI=1S/C21H21N3O4/c1-4-21(2,3)14-11-16(20(26)17(12-14)24(27)28)22-23-19-15-8-6-5-7-13(15)9-10-18(19)25/h5-12,22,26H,4H2,1-3H3/b23-19+