[2-(diethylaminomethyl)-6-methyl-phenyl] 4-nitrobenzoate

Systemtic Name: [2-(diethylaminomethyl)-6-methyl-phenyl] 4-nitrobenzoate Openeye Name: [2-(diethylaminomethyl)-6-methyl-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(diethylaminomethyl)-6-methylphenyl] ester IUPAC Name: [2-(diethylaminomethyl)-6-methylphenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(diethylaminomethyl)-6-methyl-phenyl] ester Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC(=C1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCN(CC)CC1=CC=CC(=C1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C19H22N2O4/c1-4-20(5-2)13-16-8-6-7-14(3)18(16)25-19(22)15-9-11-17(12-10-15)21(23)24/h6-12H,4-5,13H2,1-3H3