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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(3-methylphenyl)carbonylamino]benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate Traditional Name: 2-(m-toluoylamino)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H20N2O7 MolecularWeight: 448.4248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C24H20N2O7/c1-15-5-4-6-16(9-15)23(27)25-21-8-3-2-7-20(21)24(28)32-13-18-11-19(26(29)30)10-17-12-31-14-33-22(17)18/h2-11H,12-14H2,1H3,(H,25,27)