3-(2-chloranyl-5-nitro-phenyl)-3-[[3-(2-methylpropanoylamino)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-3-[[3-(2-methylpropanoylamino)phenyl]carbonylamino]propanoic acid Openeye Name: 3-(2-chloro-5-nitro-phenyl)-3-[[3-(2-methylpropanoylamino)benzoyl]amino]propanoic acid CAS Name: 3-(2-chloro-5-nitrophenyl)-3-[[[3-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(2-chloro-5-nitrophenyl)-3-[[3-(2-methylpropanoylamino)benzoyl]amino]propanoic acid Traditional Name: 3-(2-chloro-5-nitro-phenyl)-3-[[3-(isobutyrylamino)benzoyl]amino]propionic acid Formula: C20H20ClN3O6 MolecularWeight: 433.8423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O6/c1-11(2)19(27)22-13-5-3-4-12(8-13)20(28)23-17(10-18(25)26)15-9-14(24(29)30)6-7-16(15)21/h3-9,11,17H,10H2,1-2H3,(H,22,27)(H,23,28)(H,25,26)