(3S)-3-(2-chloranyl-5-nitro-phenyl)-3-(3-cyclohexylpropanoylamino)propanoate

Systemtic Name: (3S)-3-(2-chloranyl-5-nitro-phenyl)-3-(3-cyclohexylpropanoylamino)propanoate Openeye Name: (3S)-3-(2-chloro-5-nitro-phenyl)-3-(3-cyclohexylpropanoylamino)propanoate CAS Name: (3S)-3-(2-chloro-5-nitrophenyl)-3-[(3-cyclohexyl-1-oxopropyl)amino]propanoate IUPAC Name: (3S)-3-(2-chloro-5-nitrophenyl)-3-(3-cyclohexylpropanoylamino)propanoate Traditional Name: (3S)-3-(2-chloro-5-nitro-phenyl)-3-(3-cyclohexylpropanoylamino)propionate Formula: C18H22ClN2O5- MolecularWeight: 381.83068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC(CC(=O)[O-])C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCC(CC1)CCC(=O)N[C@@H](CC(=O)[O-])C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H23ClN2O5/c19-15-8-7-13(21(25)26)10-14(15)16(11-18(23)24)20-17(22)9-6-12-4-2-1-3-5-12/h7-8,10,12,16H,1-6,9,11H2,(H,20,22)(H,23,24)/p-1/t16-/m0/s1