(2S)-4-azanyl-2-[(6-chloranyl-3-nitro-pyridin-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-azanyl-2-[(6-chloranyl-3-nitro-pyridin-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: (2S)-4-amino-2-[(6-chloro-3-nitro-2-pyridyl)amino]-4-oxo-butanoate CAS Name: (2S)-4-amino-2-[(6-chloro-3-nitro-2-pyridinyl)amino]-4-oxobutanoate IUPAC Name: (2S)-4-amino-2-[(6-chloro-3-nitropyridin-2-yl)amino]-4-oxobutanoate Traditional Name: (2S)-4-amino-2-[(6-chloro-3-nitro-2-pyridyl)amino]-4-keto-butyrate Formula: C9H8ClN4O5- MolecularWeight: 287.63662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1[N+](=O)[O-])NC(CC(=O)N)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=NC(=C1[N+](=O)[O-])N[C@@H](CC(=O)N)C(=O)[O-])Cl

InChI

InChI=1S/C9H9ClN4O5/c10-6-2-1-5(14(18)19)8(13-6)12-4(9(16)17)3-7(11)15/h1-2,4H,3H2,(H2,11,15)(H,12,13)(H,16,17)/p-1/t4-/m0/s1