1-(2,6-dimethylheptan-4-ylamino)propan-2-yl 4-nitrobenzoate hydrochloride

Systemtic Name: 1-(2,6-dimethylheptan-4-ylamino)propan-2-yl 4-nitrobenzoate hydrochloride Openeye Name: [2-[(1-isobutyl-3-methyl-butyl)amino]-1-methyl-ethyl] 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 1-(2,6-dimethylheptan-4-ylamino)propan-2-yl ester hydrochloride IUPAC Name: 1-(2,6-dimethylheptan-4-ylamino)propan-2-yl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid [2-[(1-isobutyl-3-methyl-butyl)amino]-1-methyl-ethyl] ester hydrochloride Formula: C19H31ClN2O4 MolecularWeight: 386.91344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O4.ClH/c1-13(2)10-17(11-14(3)4)20-12-15(5)25-19(22)16-6-8-18(9-7-16)21(23)24;/h6-9,13-15,17,20H,10-12H2,1-5H3;1H