(4-azanyl-1,3-thiazol-2-yl)azanium; 2-formamido-3-(3-nitro-4-oxidanyl-phenyl)propanoate

Systemtic Name: (4-azanyl-1,3-thiazol-2-yl)azanium; 2-formamido-3-(3-nitro-4-oxidanyl-phenyl)propanoate Openeye Name: (4-aminothiazol-2-yl)ammonium; 2-formamido-3-(4-hydroxy-3-nitro-phenyl)propanoate CAS Name: (4-amino-2-thiazolyl)ammonium; 2-formamido-3-(4-hydroxy-3-nitrophenyl)propanoate IUPAC Name: (4-amino-1,3-thiazol-2-yl)azanium; 2-formamido-3-(4-hydroxy-3-nitrophenyl)propanoate Traditional Name: (4-aminothiazol-2-yl)ammonium; 2-formamido-3-(4-hydroxy-3-nitro-phenyl)propionate Formula: C13H15N5O6S MolecularWeight: 369.3531

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)[O-])NC=O)[N+](=O)[O-])O.C1=C(N=C(S1)[NH3+])N

Isomeric SMILES

C1=CC(=C(C=C1CC(C(=O)[O-])NC=O)[N+](=O)[O-])O.C1=C(N=C(S1)[NH3+])N

InChI

InChI=1S/C10H10N2O6.C3H5N3S/c13-5-11-7(10(15)16)3-6-1-2-9(14)8(4-6)12(17)18;4-2-1-7-3(5)6-2/h1-2,4-5,7,14H,3H2,(H,11,13)(H,15,16);1H,4H2,(H2,5,6)