(4-cyanophenyl)methyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: (4-cyanophenyl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (4-cyanophenyl)methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (4-cyanobenzyl) ester Formula: C17H15N3O4 MolecularWeight: 325.3187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4/c1-19(2)15-8-7-14(9-16(15)20(22)23)17(21)24-11-13-5-3-12(10-18)4-6-13/h3-9H,11H2,1-2H3