dimethyl 5-[[6-[(2-methoxycarbonylphenyl)-methyl-amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[6-[(2-methoxycarbonylphenyl)-methyl-amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-(2-methoxycarbonyl-N-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-(2-methoxycarbonyl-N-methylanilino)-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-(2-methoxycarbonyl-N-methylanilino)-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-(2-carbomethoxy-N-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H21N5O8 MolecularWeight: 495.44154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O8/c1-27(17-8-6-5-7-16(17)23(31)36-4)20-18(28(32)33)19(24-12-25-20)26-15-10-13(21(29)34-2)9-14(11-15)22(30)35-3/h5-12H,1-4H3,(H,24,25,26)