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

Systemtic Name: [2-(diethylaminomethyl)phenyl]methyl 4-nitrobenzoate hydrochloride Openeye Name: [2-(diethylaminomethyl)phenyl]methyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid [2-(diethylaminomethyl)phenyl]methyl ester hydrochloride IUPAC Name: [2-(diethylaminomethyl)phenyl]methyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid [2-(diethylaminomethyl)benzyl] ester hydrochloride Formula: C19H23ClN2O4 MolecularWeight: 378.84992

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1COC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1COC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C19H22N2O4.ClH/c1-3-20(4-2)13-16-7-5-6-8-17(16)14-25-19(22)15-9-11-18(12-10-15)21(23)24;/h5-12H,3-4,13-14H2,1-2H3;1H