2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethanoylamino]-4-nitro-phenolate

Systemtic Name: 2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethanoylamino]-4-nitro-phenolate Openeye Name: 2-[[2-[2-[(1S)-1-methylpropyl]phenoxy]acetyl]amino]-4-nitro-phenolate CAS Name: 2-[[2-[2-[(2S)-butan-2-yl]phenoxy]-1-oxoethyl]amino]-4-nitrophenolate IUPAC Name: 2-[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]-4-nitrophenolate Traditional Name: 2-[[2-[2-[(1S)-1-methylpropyl]phenoxy]acetyl]amino]-4-nitro-phenolate Formula: C18H19N2O5- MolecularWeight: 343.35386

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H20N2O5/c1-3-12(2)14-6-4-5-7-17(14)25-11-18(22)19-15-10-13(20(23)24)8-9-16(15)21/h4-10,12,21H,3,11H2,1-2H3,(H,19,22)/p-1/t12-/m0/s1