2-[[2-(4-tert-butylphenoxy)ethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-(4-tert-butylphenoxy)ethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-4-nitro-phenolate Formula: C19H21N2O5- MolecularWeight: 357.38044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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