6-[4-[3-(2-azanyl-4-nitro-phenoxy)propyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione; ethanedioic acid

Systemtic Name: 6-[4-[3-(2-azanyl-4-nitro-phenoxy)propyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione; ethanedioic acid Openeye Name: 6-[4-[3-(2-amino-4-nitro-phenoxy)propyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione; oxalic acid CAS Name: 6-[4-[3-(2-amino-4-nitrophenoxy)propyl]-1-piperazinyl]-1,3-dimethylpyrimidine-2,4-dione; oxalic acid IUPAC Name: 6-[4-[3-(2-amino-4-nitrophenoxy)propyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione; oxalic acid Traditional Name: 6-[4-[3-(2-amino-4-nitro-phenoxy)propyl]piperazino]-1,3-dimethyl-pyrimidine-2,4-quinone; oxalic acid Formula: C21H28N6O9 MolecularWeight: 508.48182

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCOC3=C(C=C(C=C3)[N+](=O)[O-])N.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCOC3=C(C=C(C=C3)[N+](=O)[O-])N.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H26N6O5.C2H2O4/c1-21-17(13-18(26)22(2)19(21)27)24-9-7-23(8-10-24)6-3-11-30-16-5-4-14(25(28)29)12-15(16)20;3-1(4)2(5)6/h4-5,12-13H,3,6-11,20H2,1-2H3;(H,3,4)(H,5,6)