5280707 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 8 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 4 -1 6 1 1 1 2 2 3 4 5 6 7 7 7 8 8 8 9 9 10 11 12 12 13 14 15 15 17 17 18 9 13 11 18 16 6 6 13 16 25 26 10 11 16 10 12 19 15 14 20 14 21 17 22 18 23 24 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 2 1 2 1 1 2 1 1 1 2 1 1 8 11 16 10 19 9 2 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 4.5032 8.7665 5.8475 2 2.5352 2.7431 7.5417 7.0064 5.3122 6.2633 7.9575 5.0032 3.6942 4.0032 8.2665 6.7985 9.2665 9.5755 6.3922 5.3676 3.6388 7.9021 9.6309 10.1652 7.4128 8.1313 -1.2511 -0.0245 0.9839 -0.3032 -1.9505 -0.9724 1.344 -0.3032 -0.6633 -0.9724 -0.6122 0.2877 -0.6633 0.2877 -1.5633 0.6749 -1.5633 -0.6122 -1.5788 0.7893 0.7893 -2.0649 -2.0649 -0.4207 1.9505 1.1525 8 8 8 8 8 8 8 8 8 8 1 1 2 2 9 11 12 13 15 17 9 13 11 18 12 15 14 14 17 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 376 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C073380000000000000000000000000000012240000000000000000000000001E000001E00140000000C04A190023084805044408902A952D3008208002C2200288801066CCA0C263E8CB59B8A1920E6E01108E987BC48000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (Z)-2-(2-furyl)-3-(5-nitro-2-furyl)prop-2-enamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (Z)-2-(2-furanyl)-3-(5-nitro-2-furanyl)-2-propenamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (<I>Z</I>)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (Z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (Z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (Z)-2-(2-furyl)-3-(5-nitro-2-furyl)acrylamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H8N2O5/c12-11(14)8(9-2-1-5-17-9)6-7-3-4-10(18-7)13(15)16/h1-6H,(H2,12,14)/b8-6- InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LYAHJFZLDZDIOH-VURMDHGXSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 248.04332136 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H8N2O5 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 248.19 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=COC(=C1)C(=CC2=CC=C(O2)[N+](=O)[O-])C(=O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=COC(=C1)/C(=C/C2=CC=C(O2)[N+](=O)[O-])/C(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 115 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 248.04332136 18 0 0 0 1 1 0 0 1 -1