4-nitro-2-[[(4-propan-2-ylphenyl)carbonylamino]methyl]phenolate

Systemtic Name: 4-nitro-2-[[(4-propan-2-ylphenyl)carbonylamino]methyl]phenolate Openeye Name: 2-[[(4-isopropylbenzoyl)amino]methyl]-4-nitro-phenolate CAS Name: 4-nitro-2-[[[oxo-(4-propan-2-ylphenyl)methyl]amino]methyl]phenolate IUPAC Name: 4-nitro-2-[[(4-propan-2-ylbenzoyl)amino]methyl]phenolate Traditional Name: 2-[(cumoylamino)methyl]-4-nitro-phenolate Formula: C17H17N2O4- MolecularWeight: 313.32788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4/c1-11(2)12-3-5-13(6-4-12)17(21)18-10-14-9-15(19(22)23)7-8-16(14)20/h3-9,11,20H,10H2,1-2H3,(H,18,21)/p-1