(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetate CAS Name: 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)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-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetate Traditional Name: 2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H18N2O8 MolecularWeight: 414.36552

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2N(C1=O)CC(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1COC2=CC=CC=C2N(C1=O)CC(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C20H18N2O8/c23-18-5-6-28-17-4-2-1-3-16(17)21(18)9-19(24)29-11-14-8-15(22(25)26)7-13-10-27-12-30-20(13)14/h1-4,7-8H,5-6,9-12H2