(3R)-3-[(4-tert-butylphenyl)carbonylamino]-3-(2-chloranyl-5-nitro-phenyl)propanoate

Systemtic Name: (3R)-3-[(4-tert-butylphenyl)carbonylamino]-3-(2-chloranyl-5-nitro-phenyl)propanoate Openeye Name: (3R)-3-[(4-tert-butylbenzoyl)amino]-3-(2-chloro-5-nitro-phenyl)propanoate CAS Name: (3R)-3-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-(2-chloro-5-nitrophenyl)propanoate IUPAC Name: (3R)-3-[(4-tert-butylbenzoyl)amino]-3-(2-chloro-5-nitrophenyl)propanoate Traditional Name: (3R)-3-[(4-tert-butylbenzoyl)amino]-3-(2-chloro-5-nitro-phenyl)propionate Formula: C20H20ClN2O5- MolecularWeight: 403.8362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(CC(=O)[O-])C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N[C@H](CC(=O)[O-])C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H21ClN2O5/c1-20(2,3)13-6-4-12(5-7-13)19(26)22-17(11-18(24)25)15-10-14(23(27)28)8-9-16(15)21/h4-10,17H,11H2,1-3H3,(H,22,26)(H,24,25)/p-1/t17-/m1/s1