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

Systemtic Name: 6-[4-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione; ethanedioic acid Openeye Name: 6-[4-[3-(2-chloro-4-nitro-anilino)propyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione; oxalic acid CAS Name: 6-[4-[3-(2-chloro-4-nitroanilino)propyl]-1-piperazinyl]-1,3-dimethylpyrimidine-2,4-dione; oxalic acid IUPAC Name: 6-[4-[3-(2-chloro-4-nitroanilino)propyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione; oxalic acid Traditional Name: 6-[4-[3-(2-chloro-4-nitro-anilino)propyl]piperazino]-1,3-dimethyl-pyrimidine-2,4-quinone; oxalic acid Formula: C21H27ClN6O8 MolecularWeight: 526.92748

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H25ClN6O4.C2H2O4/c1-22-17(13-18(27)23(2)19(22)28)25-10-8-24(9-11-25)7-3-6-21-16-5-4-14(26(29)30)12-15(16)20;3-1(4)2(5)6/h4-5,12-13,21H,3,6-11H2,1-2H3;(H,3,4)(H,5,6)