(4R)-4-cyano-4-(4-nitrophenyl)hexanoate; [(1R)-1-phenylethyl]azanium

Systemtic Name: (4R)-4-cyano-4-(4-nitrophenyl)hexanoate; [(1R)-1-phenylethyl]azanium Openeye Name: (4R)-4-cyano-4-(4-nitrophenyl)hexanoate; [(1R)-1-phenylethyl]ammonium CAS Name: (4R)-4-cyano-4-(4-nitrophenyl)hexanoate; [(1R)-1-phenylethyl]ammonium IUPAC Name: (4R)-4-cyano-4-(4-nitrophenyl)hexanoate; [(1R)-1-phenylethyl]azanium Traditional Name: (4R)-4-cyano-4-(4-nitrophenyl)hexanoate; [(1R)-1-phenylethyl]ammonium Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)[O-])(C#N)C1=CC=C(C=C1)[N+](=O)[O-].CC(C1=CC=CC=C1)[NH3+]

Isomeric SMILES

CC[C@](CCC(=O)[O-])(C#N)C1=CC=C(C=C1)[N+](=O)[O-].C[C@H](C1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C13H14N2O4.C8H11N/c1-2-13(9-14,8-7-12(16)17)10-3-5-11(6-4-10)15(18)19;1-7(9)8-5-3-2-4-6-8/h3-6H,2,7-8H2,1H3,(H,16,17);2-7H,9H2,1H3/t13-;7-/m01/s1