(E)-3-(4-bromanyl-3-nitro-phenyl)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide

Systemtic Name: (E)-3-(4-bromanyl-3-nitro-phenyl)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide Openeye Name: (E)-3-(4-bromo-3-nitro-phenyl)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide CAS Name: (E)-3-(4-bromo-3-nitrophenyl)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-2-propenamide IUPAC Name: (E)-3-(4-bromo-3-nitrophenyl)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide Traditional Name: (E)-3-(4-bromo-3-nitro-phenyl)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]acrylamide Formula: C17H18BrN3O3 MolecularWeight: 392.24712

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(=CC2=CC(=C(C=C2)Br)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O3/c1-11-4-2-3-5-15(11)20-17(22)13(10-19)8-12-6-7-14(18)16(9-12)21(23)24/h6-9,11,15H,2-5H2,1H3,(H,20,22)/b13-8+/t11-,15-/m0/s1