(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-chlorobenzoyl)amino]-4-methyl-pentanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-methylpentanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-methyl-valeric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H23ClN2O7 MolecularWeight: 462.88022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O7/c1-13(2)7-19(24-21(26)14-3-5-17(23)6-4-14)22(27)31-11-16-9-18(25(28)29)8-15-10-30-12-32-20(15)16/h3-6,8-9,13,19H,7,10-12H2,1-2H3,(H,24,26)