4-[4-(2,2-dimethylpropyl)-3-nitro-phenyl]-5-methoxy-pyrimidine

Systemtic Name: 4-[4-(2,2-dimethylpropyl)-3-nitro-phenyl]-5-methoxy-pyrimidine Openeye Name: 4-[4-(2,2-dimethylpropyl)-3-nitro-phenyl]-5-methoxy-pyrimidine CAS Name: 4-[4-(2,2-dimethylpropyl)-3-nitrophenyl]-5-methoxypyrimidine IUPAC Name: 4-[4-(2,2-dimethylpropyl)-3-nitrophenyl]-5-methoxypyrimidine Traditional Name: 5-methoxy-4-(4-neopentyl-3-nitro-phenyl)pyrimidine Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=C(C=C(C=C1)C2=NC=NC=C2OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CC1=C(C=C(C=C1)C2=NC=NC=C2OC)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O3/c1-16(2,3)8-12-6-5-11(7-13(12)19(20)21)15-14(22-4)9-17-10-18-15/h5-7,9-10H,8H2,1-4H3