1,3-dimethyl-6-[2-[[4-nitro-2-(phenylcarbonyl)phenyl]amino]ethylamino]pyrimidine-2,4-dione; ethanedioic acid

Systemtic Name: 1,3-dimethyl-6-[2-[[4-nitro-2-(phenylcarbonyl)phenyl]amino]ethylamino]pyrimidine-2,4-dione; ethanedioic acid Openeye Name: 6-[2-(2-benzoyl-4-nitro-anilino)ethylamino]-1,3-dimethyl-pyrimidine-2,4-dione; oxalic acid CAS Name: 6-[2-(2-benzoyl-4-nitroanilino)ethylamino]-1,3-dimethylpyrimidine-2,4-dione; oxalic acid IUPAC Name: 6-[2-(2-benzoyl-4-nitroanilino)ethylamino]-1,3-dimethylpyrimidine-2,4-dione; oxalic acid Traditional Name: 6-[2-(2-benzoyl-4-nitro-anilino)ethylamino]-1,3-dimethyl-pyrimidine-2,4-quinone; oxalic acid Formula: C23H23N5O9 MolecularWeight: 513.45682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H21N5O5.C2H2O4/c1-24-18(13-19(27)25(2)21(24)29)23-11-10-22-17-9-8-15(26(30)31)12-16(17)20(28)14-6-4-3-5-7-14;3-1(4)2(5)6/h3-9,12-13,22-23H,10-11H2,1-2H3;(H,3,4)(H,5,6)