3-(2-chloranyl-5-nitro-phenyl)-3-(2-thiophen-2-ylethanoylamino)propanoic acid

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-3-(2-thiophen-2-ylethanoylamino)propanoic acid Openeye Name: 3-(2-chloro-5-nitro-phenyl)-3-[[2-(2-thienyl)acetyl]amino]propanoic acid CAS Name: 3-(2-chloro-5-nitrophenyl)-3-[(1-oxo-2-thiophen-2-ylethyl)amino]propanoic acid IUPAC Name: 3-(2-chloro-5-nitrophenyl)-3-[(2-thiophen-2-ylacetyl)amino]propanoic acid Traditional Name: 3-(2-chloro-5-nitro-phenyl)-3-[[2-(2-thienyl)acetyl]amino]propionic acid Formula: C15H13ClN2O5S MolecularWeight: 368.79212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN2O5S/c16-12-4-3-9(18(22)23)6-11(12)13(8-15(20)21)17-14(19)7-10-2-1-5-24-10/h1-6,13H,7-8H2,(H,17,19)(H,20,21)