methyl 2-[methyl-[5-nitro-6-[(3-nitrophenyl)amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[methyl-[5-nitro-6-[(3-nitrophenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[methyl-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[methyl-[5-nitro-6-(3-nitroanilino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[methyl-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C19H16N6O6 MolecularWeight: 424.36694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N6O6/c1-23(15-9-4-3-8-14(15)19(26)31-2)18-16(25(29)30)17(20-11-21-18)22-12-6-5-7-13(10-12)24(27)28/h3-11H,1-2H3,(H,20,21,22)