2-[[2-butoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 2-[[2-butoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]iminomethyl]-6-nitro-phenolate Openeye Name: 2-[[2-butoxy-5-(1,1,3,3-tetramethylbutyl)phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 2-[[2-butoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]iminomethyl]-6-nitrophenolate IUPAC Name: 2-[[2-butoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]iminomethyl]-6-nitrophenolate Traditional Name: 2-[[2-butoxy-5-(1,1,3,3-tetramethylbutyl)phenyl]iminomethyl]-6-nitro-phenolate Formula: C25H33N2O4- MolecularWeight: 425.54052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)N=CC2=C(C(=CC=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)N=CC2=C(C(=CC=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C25H34N2O4/c1-7-8-14-31-22-13-12-19(25(5,6)17-24(2,3)4)15-20(22)26-16-18-10-9-11-21(23(18)28)27(29)30/h9-13,15-16,28H,7-8,14,17H2,1-6H3/p-1