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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-methylphenyl)carbonylamino]ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-methylbenzoyl)amino]acetate CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-methylbenzoyl)amino]acetate Traditional Name: 2-(p-toluoylamino)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H18N2O7 MolecularWeight: 386.35542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C19H18N2O7/c1-12-2-4-13(5-3-12)19(23)20-8-17(22)27-10-15-7-16(21(24)25)6-14-9-26-11-28-18(14)15/h2-7H,8-11H2,1H3,(H,20,23)