2-(propan-2-ylamino)ethyl 4-nitrobenzoate hydrochloride

Systemtic Name: 2-(propan-2-ylamino)ethyl 4-nitrobenzoate hydrochloride Openeye Name: 2-(isopropylamino)ethyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 2-(propan-2-ylamino)ethyl ester hydrochloride IUPAC Name: 2-(propan-2-ylamino)ethyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid 2-(isopropylamino)ethyl ester hydrochloride Formula: C12H17ClN2O4 MolecularWeight: 288.72738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4.ClH/c1-9(2)13-7-8-18-12(15)10-3-5-11(6-4-10)14(16)17;/h3-6,9,13H,7-8H2,1-2H3;1H