(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-benzamido-3-methyl-butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O7/c1-13(2)18(22-20(24)14-6-4-3-5-7-14)21(25)29-11-16-9-17(23(26)27)8-15-10-28-12-30-19(15)16/h3-9,13,18H,10-12H2,1-2H3,(H,22,24)/t18-/m0/s1