2-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]piperazin-1-yl]ethyl 4-nitrobenzoate; ethanedioic acid

Systemtic Name: 2-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]piperazin-1-yl]ethyl 4-nitrobenzoate; ethanedioic acid Openeye Name: 2-[4-(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)piperazin-1-yl]ethyl 4-nitrobenzoate; oxalic acid CAS Name: 4-nitrobenzoic acid 2-[4-(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-1-piperazinyl]ethyl ester; oxalic acid IUPAC Name: 2-[4-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]ethyl 4-nitrobenzoate; oxalic acid Traditional Name: 4-nitrobenzoic acid 2-[4-(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)piperazino]ethyl ester; oxalic acid Formula: C21H25N5O10 MolecularWeight: 507.4507

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O6.C2H2O4/c1-20-16(13-17(25)21(2)19(20)27)23-9-7-22(8-10-23)11-12-30-18(26)14-3-5-15(6-4-14)24(28)29;3-1(4)2(5)6/h3-6,13H,7-12H2,1-2H3;(H,3,4)(H,5,6)