ethyl 4-[4-(5-cyano-2-methyl-phenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxybenzoate

Systemtic Name: ethyl 4-[4-(5-cyano-2-methyl-phenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxybenzoate Openeye Name: ethyl 4-[4-(benzylamino)-6-(5-cyano-2-methyl-phenoxy)-5-nitro-pyrimidin-2-yl]oxybenzoate CAS Name: 4-[[4-(5-cyano-2-methylphenoxy)-5-nitro-6-[(phenylmethyl)amino]-2-pyrimidinyl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(benzylamino)-6-(5-cyano-2-methylphenoxy)-5-nitropyrimidin-2-yl]oxybenzoate Traditional Name: 4-[4-(benzylamino)-6-(5-cyano-2-methyl-phenoxy)-5-nitro-pyrimidin-2-yl]oxybenzoic acid ethyl ester Formula: C28H23N5O6 MolecularWeight: 525.51212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=NC(=C(C(=N2)OC3=C(C=CC(=C3)C#N)C)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=NC(=C(C(=N2)OC3=C(C=CC(=C3)C#N)C)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C28H23N5O6/c1-3-37-27(34)21-11-13-22(14-12-21)38-28-31-25(30-17-19-7-5-4-6-8-19)24(33(35)36)26(32-28)39-23-15-20(16-29)10-9-18(23)2/h4-15H,3,17H2,1-2H3,(H,30,31,32)