[4-(2-dimethylaminoethyl)phenyl] 4-nitrobenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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