5-nitro-2-[4-(4-pentylphenyl)phenyl]pyrimidine

Systemtic Name: 5-nitro-2-[4-(4-pentylphenyl)phenyl]pyrimidine Openeye Name: 5-nitro-2-[4-(4-pentylphenyl)phenyl]pyrimidine CAS Name: 5-nitro-2-[4-(4-pentylphenyl)phenyl]pyrimidine IUPAC Name: 5-nitro-2-[4-(4-pentylphenyl)phenyl]pyrimidine Traditional Name: 2-[4-(4-amylphenyl)phenyl]-5-nitro-pyrimidine Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O2/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)21-22-14-20(15-23-21)24(25)26/h6-15H,2-5H2,1H3