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

Systemtic Name: methyl 4-[[5-nitro-6-[(3-nitrophenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(3-nitroanilino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C18H14N6O6 MolecularWeight: 410.34036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H14N6O6/c1-30-18(25)11-5-7-12(8-6-11)21-16-15(24(28)29)17(20-10-19-16)22-13-3-2-4-14(9-13)23(26)27/h2-10H,1H3,(H2,19,20,21,22)