(2R)-2-[(6-chloranyl-3-nitro-pyridin-1-ium-2-yl)amino]-3-methyl-butanoate

Systemtic Name: (2R)-2-[(6-chloranyl-3-nitro-pyridin-1-ium-2-yl)amino]-3-methyl-butanoate Openeye Name: (2R)-2-[(6-chloro-3-nitro-pyridin-1-ium-2-yl)amino]-3-methyl-butanoate CAS Name: (2R)-2-[(6-chloro-3-nitro-2-pyridin-1-iumyl)amino]-3-methylbutanoate IUPAC Name: (2R)-2-[(6-chloro-3-nitropyridin-1-ium-2-yl)amino]-3-methylbutanoate Traditional Name: (2R)-2-[(6-chloro-3-nitro-pyridin-1-ium-2-yl)amino]-3-methyl-butyrate Formula: C10H12ClN3O4 MolecularWeight: 273.67298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC1=C(C=CC(=[NH+]1)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@H](C(=O)[O-])NC1=C(C=CC(=[NH+]1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C10H12ClN3O4/c1-5(2)8(10(15)16)13-9-6(14(17)18)3-4-7(11)12-9/h3-5,8H,1-2H3,(H,12,13)(H,15,16)/t8-/m1/s1