[2-(dimethylamino)-1-phenyl-ethyl] 4-nitrobenzoate

Systemtic Name: [2-(dimethylamino)-1-phenyl-ethyl] 4-nitrobenzoate Openeye Name: [2-(dimethylamino)-1-phenyl-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(dimethylamino)-1-phenylethyl] ester IUPAC Name: [2-(dimethylamino)-1-phenylethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(dimethylamino)-1-phenyl-ethyl] ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4/c1-18(2)12-16(13-6-4-3-5-7-13)23-17(20)14-8-10-15(11-9-14)19(21)22/h3-11,16H,12H2,1-2H3