(3R)-3-[(4-acetamidophenyl)carbonylamino]-3-(2-chloranyl-5-nitro-phenyl)propanoic acid

Systemtic Name: (3R)-3-[(4-acetamidophenyl)carbonylamino]-3-(2-chloranyl-5-nitro-phenyl)propanoic acid Openeye Name: (3R)-3-[(4-acetamidobenzoyl)amino]-3-(2-chloro-5-nitro-phenyl)propanoic acid CAS Name: (3R)-3-[[(4-acetamidophenyl)-oxomethyl]amino]-3-(2-chloro-5-nitrophenyl)propanoic acid IUPAC Name: (3R)-3-[(4-acetamidobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)propanoic acid Traditional Name: (3R)-3-[(4-acetamidobenzoyl)amino]-3-(2-chloro-5-nitro-phenyl)propionic acid Formula: C18H16ClN3O6 MolecularWeight: 405.78914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NC(CC(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)N[C@H](CC(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H16ClN3O6/c1-10(23)20-12-4-2-11(3-5-12)18(26)21-16(9-17(24)25)14-8-13(22(27)28)6-7-15(14)19/h2-8,16H,9H2,1H3,(H,20,23)(H,21,26)(H,24,25)/t16-/m1/s1