(4-nitrophenyl)methyl 2-methylheptanoate

Systemtic Name: (4-nitrophenyl)methyl 2-methylheptanoate Openeye Name: (4-nitrophenyl)methyl 2-methylheptanoate CAS Name: 2-methylheptanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-methylheptanoate Traditional Name: 2-methylenanthic acid (4-nitrobenzyl) ester Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(C)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C15H21NO4/c1-3-4-5-6-12(2)15(17)20-11-13-7-9-14(10-8-13)16(18)19/h7-10,12H,3-6,11H2,1-2H3