ethyl 4-[[2-[(4-ethoxycarbonylphenyl)amino]-6-methyl-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[2-[(4-ethoxycarbonylphenyl)amino]-6-methyl-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[2-(4-ethoxycarbonylanilino)-6-methyl-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[2-(4-ethoxycarbonylanilino)-6-methyl-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-ethoxycarbonylanilino)-6-methyl-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[2-(4-carbethoxyanilino)-6-methyl-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C23H23N5O6 MolecularWeight: 465.45862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])C)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])C)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C23H23N5O6/c1-4-33-21(29)15-6-10-17(11-7-15)25-20-19(28(31)32)14(3)24-23(27-20)26-18-12-8-16(9-13-18)22(30)34-5-2/h6-13H,4-5H2,1-3H3,(H2,24,25,26,27)