2-(phenethylamino)ethyl 4-nitrobenzoate hydrochloride

Systemtic Name: 2-(phenethylamino)ethyl 4-nitrobenzoate hydrochloride Openeye Name: 2-(phenethylamino)ethyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 2-(phenethylamino)ethyl ester hydrochloride IUPAC Name: 2-(phenethylamino)ethyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid 2-(phenethylamino)ethyl ester hydrochloride Formula: C17H19ClN2O4 MolecularWeight: 350.79676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C17H18N2O4.ClH/c20-17(15-6-8-16(9-7-15)19(21)22)23-13-12-18-11-10-14-4-2-1-3-5-14;/h1-9,18H,10-13H2;1H