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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N6O6/c1-2-31-19(26)12-5-3-6-13(9-12)22-17-16(25(29)30)18(21-11-20-17)23-14-7-4-8-15(10-14)24(27)28/h3-11H,2H2,1H3,(H2,20,21,22,23)