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

Systemtic Name: methyl 4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[[(1S)-1,2-dimethylpropyl]amino]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-[[(1S)-1,2-dimethylpropyl]amino]-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)COC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)COC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O6/c1-9(2)10(3)16-14(18)8-23-13-6-5-11(15(19)22-4)7-12(13)17(20)21/h5-7,9-10H,8H2,1-4H3,(H,16,18)/t10-/m0/s1