(3-cyanophenyl)methyl 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: (3-cyanophenyl)methyl 2-(dimethylamino)-5-nitro-benzoate Openeye Name: (3-cyanophenyl)methyl 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid (3-cyanobenzyl) ester Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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