(2R)-2-[(3,5-dinitropyridin-1-ium-2-yl)amino]-3-methyl-butanoate

Systemtic Name: (2R)-2-[(3,5-dinitropyridin-1-ium-2-yl)amino]-3-methyl-butanoate Openeye Name: (2R)-2-[(3,5-dinitropyridin-1-ium-2-yl)amino]-3-methyl-butanoate CAS Name: (2R)-2-[(3,5-dinitro-2-pyridin-1-iumyl)amino]-3-methylbutanoate IUPAC Name: (2R)-2-[(3,5-dinitropyridin-1-ium-2-yl)amino]-3-methylbutanoate Traditional Name: (2R)-2-[(3,5-dinitropyridin-1-ium-2-yl)amino]-3-methyl-butyrate Formula: C10H12N4O6 MolecularWeight: 284.22548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N4O6/c1-5(2)8(10(15)16)12-9-7(14(19)20)3-6(4-11-9)13(17)18/h3-5,8H,1-2H3,(H,11,12)(H,15,16)/t8-/m1/s1