4-[(5-nitro-1,3-thiazol-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(5-nitro-1,3-thiazol-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(5-nitrothiazol-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(5-nitro-2-thiazolyl)amino]-4-oxobutanoate IUPAC Name: 4-[(5-nitro-1,3-thiazol-2-yl)amino]-4-oxobutanoate Traditional Name: 4-keto-4-[(5-nitrothiazol-2-yl)amino]butyrate Formula: C7H6N3O5S- MolecularWeight: 244.20464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=N1)NC(=O)CCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(SC(=N1)NC(=O)CCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H7N3O5S/c11-4(1-2-6(12)13)9-7-8-3-5(16-7)10(14)15/h3H,1-2H2,(H,12,13)(H,8,9,11)/p-1