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

Systemtic Name: (2-cyanophenyl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (2-cyanophenyl)methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (2-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)C(=O)OCC2=CC=CC=C2C#N)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2C#N)[N+](=O)[O-]

InChI

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