(E)-3-(5-chloranyl-3-nitro-2-oxidanyl-phenyl)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide

Systemtic Name: (E)-3-(5-chloranyl-3-nitro-2-oxidanyl-phenyl)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide Openeye Name: (E)-3-(5-chloro-2-hydroxy-3-nitro-phenyl)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide CAS Name: (E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-2-propenamide IUPAC Name: (E)-3-(5-chloro-2-hydroxy-3-nitrophenyl)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide Traditional Name: (E)-3-(5-chloro-2-hydroxy-3-nitro-phenyl)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]acrylamide Formula: C17H18ClN3O4 MolecularWeight: 363.79552

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(=CC2=CC(=CC(=C2O)[N+](=O)[O-])Cl)C#N

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)/C(=C/C2=CC(=CC(=C2O)[N+](=O)[O-])Cl)/C#N

InChI

InChI=1S/C17H18ClN3O4/c1-10-4-2-3-5-14(10)20-17(23)12(9-19)6-11-7-13(18)8-15(16(11)22)21(24)25/h6-8,10,14,22H,2-5H2,1H3,(H,20,23)/b12-6+/t10-,14-/m0/s1