1-(3-methylbutylamino)propan-2-yl 4-nitrobenzoate hydrochloride

Systemtic Name: 1-(3-methylbutylamino)propan-2-yl 4-nitrobenzoate hydrochloride Openeye Name: [2-(isopentylamino)-1-methyl-ethyl] 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 1-(3-methylbutylamino)propan-2-yl ester hydrochloride IUPAC Name: 1-(3-methylbutylamino)propan-2-yl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid [2-(isoamylamino)-1-methyl-ethyl] ester hydrochloride Formula: C15H23ClN2O4 MolecularWeight: 330.80712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4.ClH/c1-11(2)8-9-16-10-12(3)21-15(18)13-4-6-14(7-5-13)17(19)20;/h4-7,11-12,16H,8-10H2,1-3H3;1H