(2S,3S)-3-methyl-2-[(5-nitropyridin-2-yl)amino]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[(5-nitropyridin-2-yl)amino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[(5-nitro-2-pyridyl)amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[(5-nitro-2-pyridinyl)amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[(5-nitropyridin-2-yl)amino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[(5-nitro-2-pyridyl)amino]valerate Formula: C11H14N3O4- MolecularWeight: 252.24656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC1=NC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC1=NC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O4/c1-3-7(2)10(11(15)16)13-9-5-4-8(6-12-9)14(17)18/h4-7,10H,3H2,1-2H3,(H,12,13)(H,15,16)/p-1/t7-,10-/m0/s1