2-[[(4-tert-butylphenyl)carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[(4-tert-butylphenyl)carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(4-tert-butylbenzoyl)amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(4-tert-butylphenyl)-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(4-tert-butylbenzoyl)amino]methyl]-4-nitrophenolate Traditional Name: 2-[[(4-tert-butylbenzoyl)amino]methyl]-4-nitro-phenolate Formula: C18H19N2O4- MolecularWeight: 327.35446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4/c1-18(2,3)14-6-4-12(5-7-14)17(22)19-11-13-10-15(20(23)24)8-9-16(13)21/h4-10,21H,11H2,1-3H3,(H,19,22)/p-1