(3S)-3-(1-adamantylcarbonylamino)-3-(2-chloranyl-5-nitro-phenyl)propanoate

Systemtic Name: (3S)-3-(1-adamantylcarbonylamino)-3-(2-chloranyl-5-nitro-phenyl)propanoate Openeye Name: (3S)-3-(adamantane-1-carbonylamino)-3-(2-chloro-5-nitro-phenyl)propanoate CAS Name: (3S)-3-[[1-adamantyl(oxo)methyl]amino]-3-(2-chloro-5-nitrophenyl)propanoate IUPAC Name: (3S)-3-(adamantane-1-carbonylamino)-3-(2-chloro-5-nitrophenyl)propanoate Traditional Name: (3S)-3-(adamantane-1-carbonylamino)-3-(2-chloro-5-nitro-phenyl)propionate Formula: C20H22ClN2O5- MolecularWeight: 405.85208

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(CC(=O)[O-])C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N[C@@H](CC(=O)[O-])C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H23ClN2O5/c21-16-2-1-14(23(27)28)6-15(16)17(7-18(24)25)22-19(26)20-8-11-3-12(9-20)5-13(4-11)10-20/h1-2,6,11-13,17H,3-5,7-10H2,(H,22,26)(H,24,25)/p-1/t11?,12?,13?,17-,20?/m0/s1