(2R)-2-[(6-chloranyl-3-nitro-pyridin-1-ium-2-yl)amino]-4-methyl-pentanoate

Systemtic Name: (2R)-2-[(6-chloranyl-3-nitro-pyridin-1-ium-2-yl)amino]-4-methyl-pentanoate Openeye Name: (2R)-2-[(6-chloro-3-nitro-pyridin-1-ium-2-yl)amino]-4-methyl-pentanoate CAS Name: (2R)-2-[(6-chloro-3-nitro-2-pyridin-1-iumyl)amino]-4-methylpentanoate IUPAC Name: (2R)-2-[(6-chloro-3-nitropyridin-1-ium-2-yl)amino]-4-methylpentanoate Traditional Name: (2R)-2-[(6-chloro-3-nitro-pyridin-1-ium-2-yl)amino]-4-methyl-valerate Formula: C11H14ClN3O4 MolecularWeight: 287.69956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14ClN3O4/c1-6(2)5-7(11(16)17)13-10-8(15(18)19)3-4-9(12)14-10/h3-4,6-7H,5H2,1-2H3,(H,13,14)(H,16,17)/t7-/m1/s1