2-methyl-2-(3-methylbutylamino)propan-1-ol; 4-nitrobenzoic acid

Systemtic Name: 2-methyl-2-(3-methylbutylamino)propan-1-ol; 4-nitrobenzoic acid Openeye Name: 2-(isopentylamino)-2-methyl-propan-1-ol; 4-nitrobenzoic acid CAS Name: 2-methyl-2-(3-methylbutylamino)-1-propanol; 4-nitrobenzoic acid IUPAC Name: 2-methyl-2-(3-methylbutylamino)propan-1-ol; 4-nitrobenzoic acid Traditional Name: 2-(isoamylamino)-2-methyl-propan-1-ol; 4-nitrobenzoic acid Formula: C16H26N2O5 MolecularWeight: 326.38804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(C)(C)CO.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC(C)(C)CO.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H21NO.C7H5NO4/c1-8(2)5-6-10-9(3,4)7-11;9-7(10)5-1-3-6(4-2-5)8(11)12/h8,10-11H,5-7H2,1-4H3;1-4H,(H,9,10)