3579925 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 30 31 32 33 34 35 36 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 4 5 6 6 6 7 7 7 8 8 9 11 11 12 13 13 14 14 15 15 16 16 17 18 18 19 19 20 20 21 21 22 6 12 10 5 31 10 15 26 9 7 8 10 8 9 23 24 25 11 12 13 14 16 27 17 28 18 19 17 29 30 20 32 21 33 22 34 22 35 36 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 6 1 7 8 10 3 1 7 6 8 9 23 3 1 5 -1 3 9 7 11 3 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 30 31 32 33 34 35 36 6.001 6.8671 2.5369 6.001 3.403 5.135 4.269 4.2687 4.269 6.001 5.135 6.001 5.119 6.911 6.8671 6.017 6.9191 6.8671 7.7331 7.7331 8.5991 8.5991 3.649 3.6581 4.4808 5.4641 4.5785 7.4444 6.0146 7.4572 2 6.3301 7.7331 7.7331 9.136 9.136 0.4654 -0.0346 1.4654 -1.5346 1.9654 -0.0346 0.4654 -0.5351 1.4654 -0.5346 1.9654 1.4654 3.0069 1.9722 -2.0346 3.5346 3.0138 -3.0346 -1.5346 -3.5346 -2.0346 -3.0346 0.4654 -0.6427 -1.1177 -1.8446 3.3106 1.656 4.1546 3.3217 1.7754 -3.3446 -0.9146 -4.1546 -1.7246 -3.3446 1 3 3 8 8 8 8 8 8 8 8 8 8 8 8 5 6 7 11 11 12 13 14 15 15 16 18 19 20 21 9 10 8 12 13 14 16 17 18 19 17 20 21 22 22 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 486 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B3000000000000000000000001800000000000000346080000480000000914000001E00140800000D4C81980030C682D00400A80325725002820800212200088801766C980E26B2C4B19F873828E4D411D8E80798C8F08E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-hydroxyimino-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-hydroxyimino-N-phenyl-1,7a-dihydrocyclopropa[b][1]benzopyran-1a-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-hydroxyimino-<I>N</I>-phenyl-1,7<I>a</I>-dihydrocyclopropa[b]chromene-1<I>a</I>-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-hydroxyimino-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-hydroxyimino-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-hydroximino-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H14N2O3/c20-16(18-11-6-2-1-3-7-11)17-10-13(17)15(19-21)12-8-4-5-9-14(12)22-17/h1-9,13,21H,10H2,(H,18,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 FPXPIEZPAXSELW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 294.10044231 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H14N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 294.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C2C1(OC3=CC=CC=C3C2=NO)C(=O)NC4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C2C1(OC3=CC=CC=C3C2=NO)C(=O)NC4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 70.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 294.10044231 22 2 0 2 1 0 1 0 1 -1