2-[2-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]amino]ethyl-[3-(4-nitrophenyl)propyl]amino]ethyl benzoate; ethanedioic acid

Systemtic Name: 2-[2-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]amino]ethyl-[3-(4-nitrophenyl)propyl]amino]ethyl benzoate; ethanedioic acid Openeye Name: 2-[2-[(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)amino]ethyl-[3-(4-nitrophenyl)propyl]amino]ethyl benzoate; oxalic acid CAS Name: benzoic acid 2-[2-[(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)amino]ethyl-[3-(4-nitrophenyl)propyl]amino]ethyl ester; oxalic acid IUPAC Name: 2-[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]ethyl-[3-(4-nitrophenyl)propyl]amino]ethyl benzoate; oxalic acid Traditional Name: benzoic acid 2-[2-[(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)amino]ethyl-[3-(4-nitrophenyl)propyl]amino]ethyl ester; oxalic acid Formula: C28H33N5O10 MolecularWeight: 599.58912

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)NCCN(CCCC2=CC=C(C=C2)[N+](=O)[O-])CCOC(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)NCCN(CCCC2=CC=C(C=C2)[N+](=O)[O-])CCOC(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H31N5O6.C2H2O4/c1-28-23(19-24(32)29(2)26(28)34)27-14-16-30(17-18-37-25(33)21-8-4-3-5-9-21)15-6-7-20-10-12-22(13-11-20)31(35)36;3-1(4)2(5)6/h3-5,8-13,19,27H,6-7,14-18H2,1-2H3;(H,3,4)(H,5,6)