(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R,3S)-3-methyl-2-phenyl-pentanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R,3S)-3-methyl-2-phenyl-pentanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R,3S)-3-methyl-2-phenyl-pentanoate CAS Name: (2R,3S)-3-methyl-2-phenylpentanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R,3S)-3-methyl-2-phenylpentanoate Traditional Name: (2R,3S)-3-methyl-2-phenyl-valeric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC[C@H](C)[C@H](C1=CC=CC=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C21H23NO6/c1-3-14(2)19(15-7-5-4-6-8-15)21(23)27-12-17-10-18(22(24)25)9-16-11-26-13-28-20(16)17/h4-10,14,19H,3,11-13H2,1-2H3/t14-,19+/m0/s1