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

Systemtic Name: dimethyl 5-[[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-(2,3-dihydroindol-1-yl)-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H19N5O6 MolecularWeight: 449.41616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C22H19N5O6/c1-32-21(28)14-9-15(22(29)33-2)11-16(10-14)25-19-18(27(30)31)20(24-12-23-19)26-8-7-13-5-3-4-6-17(13)26/h3-6,9-12H,7-8H2,1-2H3,(H,23,24,25)