5-nitro-2-[[(2S)-pentan-2-yl]amino]benzoate

Systemtic Name: 5-nitro-2-[[(2S)-pentan-2-yl]amino]benzoate Openeye Name: 2-[[(1S)-1-methylbutyl]amino]-5-nitro-benzoate CAS Name: 5-nitro-2-[[(2S)-pentan-2-yl]amino]benzoate IUPAC Name: 5-nitro-2-[[(2S)-pentan-2-yl]amino]benzoate Traditional Name: 2-[[(1S)-1-methylbutyl]amino]-5-nitro-benzoate Formula: C12H15N2O4- MolecularWeight: 251.2585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4/c1-3-4-8(2)13-11-6-5-9(14(17)18)7-10(11)12(15)16/h5-8,13H,3-4H2,1-2H3,(H,15,16)/p-1/t8-/m0/s1