(4-nitrophenyl)methyl N-[(2S)-octan-2-yl]carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[(2S)-octan-2-yl]carbamate Openeye Name: (4-nitrophenyl)methyl N-[(1S)-1-methylheptyl]carbamate CAS Name: N-[(2S)-octan-2-yl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[(2S)-octan-2-yl]carbamate Traditional Name: N-[(1S)-1-methylheptyl]carbamic acid (4-nitrobenzyl) ester Formula: C16H24N2O4 MolecularWeight: 308.37276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4/c1-3-4-5-6-7-13(2)17-16(19)22-12-14-8-10-15(11-9-14)18(20)21/h8-11,13H,3-7,12H2,1-2H3,(H,17,19)/t13-/m0/s1