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N-(cyanomethyl)-2-[2-(3-nitrophenyl)phenyl]cyclohexane-1-carboxamide
N-(cyanomethyl)-2-[2-(3-nitrophenyl)phenyl]cyclohexane-1-carboxamide
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Descriptors Computed from Structure
Canonical SMILES:
C1CCC(C(C1)C2=CC=CC=C2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NCC#N
Isomeric SMILES
C1CCC(C(C1)C2=CC=CC=C2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NCC#N
InChI
InChI=1S/C21H21N3O3/c22-12-13-23-21(25)20-11-4-3-10-19(20)18-9-2-1-8-17(18)15-6-5-7-16(14-15)24(26)27/h1-2,5-9,14,19-20H,3-4,10-11,13H2,(H,23,25)
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