2-[[(2S)-1-methoxypropan-2-yl]amino]-5-nitro-benzoate

Systemtic Name: 2-[[(2S)-1-methoxypropan-2-yl]amino]-5-nitro-benzoate Openeye Name: 2-[[(1S)-2-methoxy-1-methyl-ethyl]amino]-5-nitro-benzoate CAS Name: 2-[[(2S)-1-methoxypropan-2-yl]amino]-5-nitrobenzoate IUPAC Name: 2-[[(2S)-1-methoxypropan-2-yl]amino]-5-nitrobenzoate Traditional Name: 2-[[(1S)-2-methoxy-1-methyl-ethyl]amino]-5-nitro-benzoate Formula: C11H13N2O5- MolecularWeight: 253.23132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O5/c1-7(6-18-2)12-10-4-3-8(13(16)17)5-9(10)11(14)15/h3-5,7,12H,6H2,1-2H3,(H,14,15)/p-1/t7-/m0/s1