4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-nitro-pyridine

Systemtic Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-nitro-pyridine Openeye Name: 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-3-nitro-pyridine CAS Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-nitropyridine IUPAC Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-nitropyridine Traditional Name: 4-(2,4-ditert-amylphenoxy)-3-nitro-pyridine Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OC2=C(C=NC=C2)[N+](=O)[O-])C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OC2=C(C=NC=C2)[N+](=O)[O-])C(C)(C)CC

InChI

InChI=1S/C21H28N2O3/c1-7-20(3,4)15-9-10-18(16(13-15)21(5,6)8-2)26-19-11-12-22-14-17(19)23(24)25/h9-14H,7-8H2,1-6H3