3-(2-chloranyl-5-nitro-phenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]propanoic acid

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]propanoic acid Openeye Name: 3-(2-chloro-5-nitro-phenyl)-3-[(5-methyl-3-phenyl-isoxazole-4-carbonyl)amino]propanoic acid CAS Name: 3-(2-chloro-5-nitrophenyl)-3-[[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(2-chloro-5-nitrophenyl)-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid Traditional Name: 3-(2-chloro-5-nitro-phenyl)-3-[(5-methyl-3-phenyl-isoxazole-4-carbonyl)amino]propionic acid Formula: C20H16ClN3O6 MolecularWeight: 429.81054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(CC(=O)O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(CC(=O)O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H16ClN3O6/c1-11-18(19(23-30-11)12-5-3-2-4-6-12)20(27)22-16(10-17(25)26)14-9-13(24(28)29)7-8-15(14)21/h2-9,16H,10H2,1H3,(H,22,27)(H,25,26)