dimethyl 2-[[2-[(4-acetamidophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[2-[(4-acetamidophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(4-acetamidoanilino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(4-acetamidoanilino)-5-nitro-4-pyrimidinyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(4-acetamidoanilino)-5-nitropyrimidin-4-yl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(4-acetamidoanilino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H20N6O7 MolecularWeight: 480.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O7/c1-12(29)24-14-5-7-15(8-6-14)25-22-23-11-18(28(32)33)19(27-22)26-17-10-13(20(30)34-2)4-9-16(17)21(31)35-3/h4-11H,1-3H3,(H,24,29)(H2,23,25,26,27)