dimethyl 5-[[6-[(3-bromophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[6-[(3-bromophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-(3-bromoanilino)-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-(3-bromoanilino)-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H16BrN5O6 MolecularWeight: 502.27494

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)Br)C(=O)OC

InChI

InChI=1S/C20H16BrN5O6/c1-31-19(27)11-6-12(20(28)32-2)8-15(7-11)25-18-16(26(29)30)17(22-10-23-18)24-14-5-3-4-13(21)9-14/h3-10H,1-2H3,(H2,22,23,24,25)