2-(1-phenylethylamino)ethyl 4-nitrobenzoate hydrochloride

Systemtic Name: 2-(1-phenylethylamino)ethyl 4-nitrobenzoate hydrochloride Openeye Name: 2-(1-phenylethylamino)ethyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 2-(1-phenylethylamino)ethyl ester hydrochloride IUPAC Name: 2-(1-phenylethylamino)ethyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid 2-(1-phenylethylamino)ethyl ester hydrochloride Formula: C17H19ClN2O4 MolecularWeight: 350.79676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4.ClH/c1-13(14-5-3-2-4-6-14)18-11-12-23-17(20)15-7-9-16(10-8-15)19(21)22;/h2-10,13,18H,11-12H2,1H3;1H