5722358 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 28 29 8 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 -1 6 1 1 2 3 4 4 4 5 5 6 7 7 8 8 8 9 9 10 11 12 13 13 14 15 16 16 17 17 18 18 19 11 6 6 5 12 24 15 25 10 15 19 9 11 12 10 20 13 14 21 14 22 23 16 17 26 18 27 19 28 29 2 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 8 9 11 12 4 21 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 28 29 2 5.4641 6.3301 4.5981 4.5981 5.4641 6.3301 3.732 4.5981 4.5981 2.866 3.732 3.732 2.866 5.4641 5.4641 6.3301 7.1962 7.1962 5.135 3.1951 3.732 2.3291 5.135 4.0611 4.9272 6.3301 7.7331 7.7331 -0.75 -3.75 -2.25 0.75 1.75 -2.75 1.75 -0.75 -1.25 -2.25 -1.25 0.25 -2.75 -2.25 2.25 3.25 3.75 3.25 2.25 -0.94 0.56 -3.37 -2.56 0.44 2.06 3.56 4.37 3.56 1.94 8 8 8 8 8 8 7 7 15 16 17 18 15 19 16 17 18 19 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 462 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C073B0000000000000000000000000000000000000002C4000000000000000018000001E001C0000000C0CC192043DB0927A5000A902B67767008284293102223CF8A13864D88820E2C09191842008609002C8C9E61000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (6E)-4-nitro-6-[[2-(2-pyridyl)hydrazino]methylene]cyclohexa-2,4-dien-1-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (6E)-4-nitro-6-[(2-pyridinylhydrazo)methylidene]-1-cyclohexa-2,4-dienone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (6<I>E</I>)-4-nitro-6-[(2-pyridin-2-ylhydrazinyl)methylidene]cyclohexa-2,4-dien-1-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (6E)-4-nitro-6-[(2-pyridin-2-ylhydrazinyl)methylidene]cyclohexa-2,4-dien-1-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (6E)-4-nitro-6-[(2-pyridin-2-ylhydrazinyl)methylidene]cyclohexa-2,4-dien-1-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (6E)-4-nitro-6-[[N'-(2-pyridyl)hydrazino]methylene]cyclohexa-2,4-dien-1-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C12H10N4O3/c17-11-5-4-10(16(18)19)7-9(11)8-14-15-12-3-1-2-6-13-12/h1-8,14H,(H,13,15)/b9-8+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PRQCXGVZGRWHEE-CMDGGOBGSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 258.07529019 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C12H10N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 258.23 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=NC(=C1)NNC=C2C=C(C=CC2=O)[N+](=O)[O-] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=NC(=C1)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 99.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 258.07529019 19 0 0 0 1 1 0 0 1 -1