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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 5-azanyl-2-nitro-4-octoxy-benzoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 5-amino-2-nitro-4-octoxy-benzoate CAS Name: 5-amino-2-nitro-4-octoxybenzoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 5-amino-2-nitro-4-octoxybenzoate Traditional Name: 5-amino-2-nitro-4-octoxy-benzoic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C32H42N4O5 MolecularWeight: 562.69968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCC)N

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCC)N

InChI

InChI=1S/C32H42N4O5/c1-3-5-7-9-11-13-19-40-30-21-29(36(38)39)27(20-28(30)33)32(37)41-26-17-15-25(16-18-26)31-34-22-24(23-35-31)14-12-10-8-6-4-2/h15-18,20-23H,3-14,19,33H2,1-2H3