(2R)-4-azanyl-2-[(6-chloranyl-3-nitro-pyridin-1-ium-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-azanyl-2-[(6-chloranyl-3-nitro-pyridin-1-ium-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-amino-2-[(6-chloro-3-nitro-pyridin-1-ium-2-yl)amino]-4-oxo-butanoate CAS Name: (2R)-4-amino-2-[(6-chloro-3-nitro-2-pyridin-1-iumyl)amino]-4-oxobutanoate IUPAC Name: (2R)-4-amino-2-[(6-chloro-3-nitropyridin-1-ium-2-yl)amino]-4-oxobutanoate Traditional Name: (2R)-4-amino-2-[(6-chloro-3-nitro-pyridin-1-ium-2-yl)amino]-4-keto-butyrate Formula: C9H9ClN4O5 MolecularWeight: 288.64456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=[NH+]C(=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)/t4-/m1/s1