(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H30N2O7 MolecularWeight: 470.5149

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O7/c1-15(2)21(26-23(28)16-6-8-19(9-7-16)25(3,4)5)24(29)33-13-18-11-20(27(30)31)10-17-12-32-14-34-22(17)18/h6-11,15,21H,12-14H2,1-5H3,(H,26,28)