2-(4-bromanyl-3-nitro-phenyl)-5-heptyl-pyrimidine

Systemtic Name: 2-(4-bromanyl-3-nitro-phenyl)-5-heptyl-pyrimidine Openeye Name: 2-(4-bromo-3-nitro-phenyl)-5-heptyl-pyrimidine CAS Name: 2-(4-bromo-3-nitrophenyl)-5-heptylpyrimidine IUPAC Name: 2-(4-bromo-3-nitrophenyl)-5-heptylpyrimidine Traditional Name: 2-(4-bromo-3-nitro-phenyl)-5-heptyl-pyrimidine Formula: C17H20BrN3O2 MolecularWeight: 378.2636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H20BrN3O2/c1-2-3-4-5-6-7-13-11-19-17(20-12-13)14-8-9-15(18)16(10-14)21(22)23/h8-12H,2-7H2,1H3