(4-acetamido-3,5-dimethyl-phenyl) 3-nitrobenzoate

Systemtic Name: (4-acetamido-3,5-dimethyl-phenyl) 3-nitrobenzoate Openeye Name: (4-acetamido-3,5-dimethyl-phenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (4-acetamido-3,5-dimethylphenyl) ester IUPAC Name: (4-acetamido-3,5-dimethylphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (4-acetamido-3,5-dimethyl-phenyl) ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C)C)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)C)C)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5/c1-10-7-15(8-11(2)16(10)18-12(3)20)24-17(21)13-5-4-6-14(9-13)19(22)23/h4-9H,1-3H3,(H,18,20)