[4-(5-heptylpyrimidin-2-yl)phenyl] 2-azanyl-4-(2-methylbutoxy)-5-nitro-benzoate

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-azanyl-4-(2-methylbutoxy)-5-nitro-benzoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-amino-4-(2-methylbutoxy)-5-nitro-benzoate CAS Name: 2-amino-4-(2-methylbutoxy)-5-nitrobenzoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-amino-4-(2-methylbutoxy)-5-nitrobenzoate Traditional Name: 2-amino-4-(2-methylbutoxy)-5-nitro-benzoic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C29H36N4O5 MolecularWeight: 520.61994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3N)OCC(C)CC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3N)OCC(C)CC)[N+](=O)[O-]

InChI

InChI=1S/C29H36N4O5/c1-4-6-7-8-9-10-21-17-31-28(32-18-21)22-11-13-23(14-12-22)38-29(34)24-15-26(33(35)36)27(16-25(24)30)37-19-20(3)5-2/h11-18,20H,4-10,19,30H2,1-3H3