2-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]methyl]-4-nitro-phenolate Formula: C19H21N2O5- MolecularWeight: 357.38044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H22N2O5/c1-12(2)16-6-4-13(3)8-18(16)26-11-19(23)20-10-14-9-15(21(24)25)5-7-17(14)22/h4-9,12,22H,10-11H2,1-3H3,(H,20,23)/p-1