[2-(4-nitrophenyl)pyrimidin-5-yl] 4-hexoxybenzoate

Systemtic Name: [2-(4-nitrophenyl)pyrimidin-5-yl] 4-hexoxybenzoate Openeye Name: [2-(4-nitrophenyl)pyrimidin-5-yl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [2-(4-nitrophenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-nitrophenyl)pyrimidin-5-yl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [2-(4-nitrophenyl)pyrimidin-5-yl] ester Formula: C23H23N3O5 MolecularWeight: 421.44582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CN=C(N=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CN=C(N=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O5/c1-2-3-4-5-14-30-20-12-8-18(9-13-20)23(27)31-21-15-24-22(25-16-21)17-6-10-19(11-7-17)26(28)29/h6-13,15-16H,2-5,14H2,1H3