2-(2,6-dimethylheptan-4-ylamino)ethyl 4-nitrobenzoate hydrochloride

Systemtic Name: 2-(2,6-dimethylheptan-4-ylamino)ethyl 4-nitrobenzoate hydrochloride Openeye Name: 2-[(1-isobutyl-3-methyl-butyl)amino]ethyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 2-(2,6-dimethylheptan-4-ylamino)ethyl ester hydrochloride IUPAC Name: 2-(2,6-dimethylheptan-4-ylamino)ethyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid 2-[(1-isobutyl-3-methyl-butyl)amino]ethyl ester hydrochloride Formula: C18H29ClN2O4 MolecularWeight: 372.88686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4.ClH/c1-13(2)11-16(12-14(3)4)19-9-10-24-18(21)15-5-7-17(8-6-15)20(22)23;/h5-8,13-14,16,19H,9-12H2,1-4H3;1H