53426303 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 8 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 3 -1 6 1 1 2 3 4 5 5 5 6 7 7 7 7 8 8 8 9 9 9 10 10 13 13 14 14 15 15 16 16 11 12 6 6 11 12 23 17 8 9 10 18 11 19 20 12 21 22 13 14 15 24 16 25 17 26 17 27 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 5.4641 2 4.5981 2.866 3.732 3.732 3.732 4.5981 2.866 3.732 4.5981 2.866 2.866 4.5981 2.866 4.5981 3.732 4.269 5.2087 4.8101 2.654 2.2554 3.732 2.3291 5.135 2.3291 5.135 -2.94 -2.94 3.56 3.56 -2.94 3.06 -0.94 -1.44 -1.44 0.06 -2.44 -2.44 0.56 0.56 1.56 1.56 2.06 -0.63 -1.5477 -0.8574 -0.8574 -1.5477 -3.56 0.25 0.25 1.87 1.87 8 8 8 8 8 8 10 10 13 14 15 16 13 14 15 16 17 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 326 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07338000000000000000000000000000000000000003C4000000000000000010000001E00140000000D0881980030C082D0400089022552530082000020020028880100648A08203280919184200060942088C807188BC08E88000000000000001000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-nitrophenyl)piperidine-2,6-dione IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-nitrophenyl)piperidine-2,6-dione IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-nitrophenyl)piperidine-2,6-dione IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-nitrophenyl)piperidine-2,6-dione IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-nitrophenyl)piperidine-2,6-dione IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-nitrophenyl)piperidine-2,6-quinone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H10N2O4/c14-10-5-8(6-11(15)12-10)7-1-3-9(4-2-7)13(16)17/h1-4,8H,5-6H2,(H,12,14,15) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CLNUBVHQUXBQSK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 234.06405680 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H10N2O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 234.21 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C(CC(=O)NC1=O)C2=CC=C(C=C2)[N+](=O)[O-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C(CC(=O)NC1=O)C2=CC=C(C=C2)[N+](=O)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 92 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 234.06405680 17 0 0 0 0 0 0 0 1 -1