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

Systemtic Name: ethanedioic acid; 6-[2-[2-hydroxyethyl-[3-[2-nitro-4-(phenylcarbonyl)phenoxy]propyl]amino]ethylamino]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[2-[3-(4-benzoyl-2-nitro-phenoxy)propyl-(2-hydroxyethyl)amino]ethylamino]-1,3-dimethyl-pyrimidine-2,4-dione; oxalic acid CAS Name: 6-[2-[3-(4-benzoyl-2-nitrophenoxy)propyl-(2-hydroxyethyl)amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione; oxalic acid IUPAC Name: 6-[2-[3-(4-benzoyl-2-nitrophenoxy)propyl-(2-hydroxyethyl)amino]ethylamino]-1,3-dimethylpyrimidine-2,4-dione; oxalic acid Traditional Name: 6-[2-[3-(4-benzoyl-2-nitro-phenoxy)propyl-(2-hydroxyethyl)amino]ethylamino]-1,3-dimethyl-pyrimidine-2,4-quinone; oxalic acid Formula: C28H33N5O11 MolecularWeight: 615.58852

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)NCCN(CCCOC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])CCO.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)NCCN(CCCOC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])CCO.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H31N5O7.C2H2O4/c1-28-23(18-24(33)29(2)26(28)35)27-11-13-30(14-15-32)12-6-16-38-22-10-9-20(17-21(22)31(36)37)25(34)19-7-4-3-5-8-19;3-1(4)2(5)6/h3-5,7-10,17-18,27,32H,6,11-16H2,1-2H3;(H,3,4)(H,5,6)