(4-ethanoylphenyl) 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: (4-ethanoylphenyl) 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (4-acetylphenyl) 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (4-acetylphenyl) ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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