(3-acetamido-2,4-dimethyl-phenyl) 3-nitrobenzoate

Systemtic Name: (3-acetamido-2,4-dimethyl-phenyl) 3-nitrobenzoate Openeye Name: (3-acetamido-2,4-dimethyl-phenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (3-acetamido-2,4-dimethylphenyl) ester IUPAC Name: (3-acetamido-2,4-dimethylphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (3-acetamido-2,4-dimethyl-phenyl) ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)NC(=O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)NC(=O)C

InChI

InChI=1S/C17H16N2O5/c1-10-7-8-15(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)