(3R)-3-(2-chloranyl-5-nitro-phenyl)-3-[[(3S)-3-phenylbutanoyl]amino]propanoate

Systemtic Name: (3R)-3-(2-chloranyl-5-nitro-phenyl)-3-[[(3S)-3-phenylbutanoyl]amino]propanoate Openeye Name: (3R)-3-(2-chloro-5-nitro-phenyl)-3-[[(3S)-3-phenylbutanoyl]amino]propanoate CAS Name: (3R)-3-(2-chloro-5-nitrophenyl)-3-[[(3S)-1-oxo-3-phenylbutyl]amino]propanoate IUPAC Name: (3R)-3-(2-chloro-5-nitrophenyl)-3-[[(3S)-3-phenylbutanoyl]amino]propanoate Traditional Name: (3R)-3-(2-chloro-5-nitro-phenyl)-3-[[(3S)-3-phenylbutanoyl]amino]propionate Formula: C19H18ClN2O5- MolecularWeight: 389.80962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O5/c1-12(13-5-3-2-4-6-13)9-18(23)21-17(11-19(24)25)15-10-14(22(26)27)7-8-16(15)20/h2-8,10,12,17H,9,11H2,1H3,(H,21,23)(H,24,25)/p-1/t12-,17+/m0/s1