(3R)-3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-(4-propoxyphenyl)propanoic acid

Systemtic Name: (3R)-3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-(4-propoxyphenyl)propanoic acid Openeye Name: (3R)-3-[(4-chloro-3-nitro-benzoyl)amino]-3-(4-propoxyphenyl)propanoic acid CAS Name: (3R)-3-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-3-(4-propoxyphenyl)propanoic acid IUPAC Name: (3R)-3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid Traditional Name: (3R)-3-[(4-chloro-3-nitro-benzoyl)amino]-3-(4-propoxyphenyl)propionic acid Formula: C19H19ClN2O6 MolecularWeight: 406.81696

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@@H](CC(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN2O6/c1-2-9-28-14-6-3-12(4-7-14)16(11-18(23)24)21-19(25)13-5-8-15(20)17(10-13)22(26)27/h3-8,10,16H,2,9,11H2,1H3,(H,21,25)(H,23,24)/t16-/m1/s1