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(2E)-1-(1-adamantyl)-2-(3,3-dimethyl-6-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone
(2E)-1-(1-adamantyl)-2-(3,3-dimethyl-6-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone
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Descriptors Computed from Structure
Canonical SMILES:
CC1(CC2=C(C=CC(=C2)[N+](=O)[O-])C(=CC(=O)C34CC5CC(C3)CC(C5)C4)N1)C
Isomeric SMILES
CC1(CC2=C(C=CC(=C2)[N+](=O)[O-])/C(=C\C(=O)C34CC5CC(C3)CC(C5)C4)/N1)C
InChI
InChI=1S/C23H28N2O3/c1-22(2)13-17-8-18(25(27)28)3-4-19(17)20(24-22)9-21(26)23-10-14-5-15(11-23)7-16(6-14)12-23/h3-4,8-9,14-16,24H,5-7,10-13H2,1-2H3/b20-9+
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- (3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-30-ethyl-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-27-[[(E)-prop-1-enoxy]methyl]-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
