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

Systemtic Name: methyl 2-[[5-nitro-6-[(3-nitrophenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-nitro-6-(3-nitroanilino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C18H14N6O6 MolecularWeight: 410.34036

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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