N-methyl-2-phenoxy-ethanamide; 4-nitrobenzoate

Systemtic Name: N-methyl-2-phenoxy-ethanamide; 4-nitrobenzoate Openeye Name: N-methyl-2-phenoxy-acetamide; 4-nitrobenzoate CAS Name: N-methyl-2-phenoxyacetamide; 4-nitrobenzoate IUPAC Name: N-methyl-2-phenoxyacetamide; 4-nitrobenzoate Traditional Name: N-methyl-2-phenoxy-acetamide; 4-nitrobenzoate Formula: C16H15N2O6- MolecularWeight: 331.3001

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC1=CC=CC=C1.C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CNC(=O)COC1=CC=CC=C1.C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H11NO2.C7H5NO4/c1-10-9(11)7-12-8-5-3-2-4-6-8;9-7(10)5-1-3-6(4-2-5)8(11)12/h2-6H,7H2,1H3,(H,10,11);1-4H,(H,9,10)/p-1