2-azanyl-4-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanoic acid

Systemtic Name: 2-azanyl-4-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanoic acid Openeye Name: 2-amino-4-[4-(4-nitrophenyl)thiazol-2-yl]butanoic acid CAS Name: 2-amino-4-[4-(4-nitrophenyl)-2-thiazolyl]butanoic acid IUPAC Name: 2-amino-4-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanoic acid Traditional Name: 2-amino-4-[4-(4-nitrophenyl)thiazol-2-yl]butyric acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC(=N2)CCC(C(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CSC(=N2)CCC(C(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4S/c14-10(13(17)18)5-6-12-15-11(7-21-12)8-1-3-9(4-2-8)16(19)20/h1-4,7,10H,5-6,14H2,(H,17,18)