4-[[(2S)-3-methylbutan-2-yl]amino]-3-nitro-benzoate

Systemtic Name: 4-[[(2S)-3-methylbutan-2-yl]amino]-3-nitro-benzoate Openeye Name: 4-[[(1S)-1,2-dimethylpropyl]amino]-3-nitro-benzoate CAS Name: 4-[[(2S)-3-methylbutan-2-yl]amino]-3-nitrobenzoate IUPAC Name: 4-[[(2S)-3-methylbutan-2-yl]amino]-3-nitrobenzoate Traditional Name: 4-[[(1S)-1,2-dimethylpropyl]amino]-3-nitro-benzoate Formula: C12H15N2O4- MolecularWeight: 251.2585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4/c1-7(2)8(3)13-10-5-4-9(12(15)16)6-11(10)14(17)18/h4-8,13H,1-3H3,(H,15,16)/p-1/t8-/m0/s1