3-[[5-(4-nitrophenyl)-6H-1,3,4-thiadiazin-2-yl]amino]propanoic acid

Systemtic Name: 3-[[5-(4-nitrophenyl)-6H-1,3,4-thiadiazin-2-yl]amino]propanoic acid Openeye Name: 3-[[5-(4-nitrophenyl)-6H-1,3,4-thiadiazin-2-yl]amino]propanoic acid CAS Name: 3-[[5-(4-nitrophenyl)-6H-1,3,4-thiadiazin-2-yl]amino]propanoic acid IUPAC Name: 3-[[5-(4-nitrophenyl)-6H-1,3,4-thiadiazin-2-yl]amino]propanoic acid Traditional Name: 3-[[5-(4-nitrophenyl)-6H-1,3,4-thiadiazin-2-yl]amino]propionic acid Formula: C12H12N4O4S MolecularWeight: 308.31308

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN=C(S1)NCCC(=O)O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1C(=NN=C(S1)NCCC(=O)O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O4S/c17-11(18)5-6-13-12-15-14-10(7-21-12)8-1-3-9(4-2-8)16(19)20/h1-4H,5-7H2,(H,13,15)(H,17,18)