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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[methyl(phenyl)carbamoyl]benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[methyl(phenyl)carbamoyl]benzoate CAS Name: 2-[(N-methylanilino)-oxomethyl]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[methyl(phenyl)carbamoyl]benzoate Traditional Name: 2-[methyl(phenyl)carbamoyl]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:

CN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

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