2-azanylethanol; 2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-azanylethanol; 2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-aminoethanol; 2-[[4-(4-nitrophenyl)thiazol-2-yl]amino]-2-oxo-acetic acid CAS Name: 2-aminoethanol; 2-[[4-(4-nitrophenyl)-2-thiazolyl]amino]-2-oxoacetic acid IUPAC Name: 2-aminoethanol; 2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid Traditional Name: 2-aminoethanol; 2-keto-2-[[4-(4-nitrophenyl)thiazol-2-yl]amino]acetic acid Formula: C13H14N4O6S MolecularWeight: 354.33846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC(=N2)NC(=O)C(=O)O)[N+](=O)[O-].C(CO)N

Isomeric SMILES

C1=CC(=CC=C1C2=CSC(=N2)NC(=O)C(=O)O)[N+](=O)[O-].C(CO)N

InChI

InChI=1S/C11H7N3O5S.C2H7NO/c15-9(10(16)17)13-11-12-8(5-20-11)6-1-3-7(4-2-6)14(18)19;3-1-2-4/h1-5H,(H,16,17)(H,12,13,15);4H,1-3H2