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

Systemtic Name: (3S)-3-(2-chloranyl-5-nitro-phenyl)-3-(cyclohexylcarbonylamino)propanoate Openeye Name: (3S)-3-(2-chloro-5-nitro-phenyl)-3-(cyclohexanecarbonylamino)propanoate CAS Name: (3S)-3-(2-chloro-5-nitrophenyl)-3-[[cyclohexyl(oxo)methyl]amino]propanoate IUPAC Name: (3S)-3-(2-chloro-5-nitrophenyl)-3-(cyclohexanecarbonylamino)propanoate Traditional Name: (3S)-3-(2-chloro-5-nitro-phenyl)-3-(cyclohexanecarbonylamino)propionate Formula: C16H18ClN2O5- MolecularWeight: 353.77752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O5/c17-13-7-6-11(19(23)24)8-12(13)14(9-15(20)21)18-16(22)10-4-2-1-3-5-10/h6-8,10,14H,1-5,9H2,(H,18,22)(H,20,21)/p-1/t14-/m0/s1