methyl 4-[[6-(4-methylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[6-(4-methylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(4-methylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(4-methylphenoxy)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(4-methylphenoxy)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(4-methylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C19H16N4O5 MolecularWeight: 380.35414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H16N4O5/c1-12-3-9-15(10-4-12)28-18-16(23(25)26)17(20-11-21-18)22-14-7-5-13(6-8-14)19(24)27-2/h3-11H,1-2H3,(H,20,21,22)