2,4-dimethylpentan-3-yl 4-nitro-3-phenyl-hexanoate

Systemtic Name: 2,4-dimethylpentan-3-yl 4-nitro-3-phenyl-hexanoate Openeye Name: (1-isopropyl-2-methyl-propyl) 4-nitro-3-phenyl-hexanoate CAS Name: 4-nitro-3-phenylhexanoic acid 2,4-dimethylpentan-3-yl ester IUPAC Name: 2,4-dimethylpentan-3-yl 4-nitro-3-phenylhexanoate Traditional Name: 4-nitro-3-phenyl-hexanoic acid (1-isopropyl-2-methyl-propyl) ester Formula: C19H29NO4 MolecularWeight: 335.43786

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC(=O)OC(C(C)C)C(C)C)C1=CC=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCC(C(CC(=O)OC(C(C)C)C(C)C)C1=CC=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C19H29NO4/c1-6-17(20(22)23)16(15-10-8-7-9-11-15)12-18(21)24-19(13(2)3)14(4)5/h7-11,13-14,16-17,19H,6,12H2,1-5H3