(phenylmethyl) 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: (phenylmethyl) 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: benzyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid benzyl ester Formula: C16H13NO6 MolecularWeight: 315.27752

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C16H13NO6/c18-16(23-10-11-4-2-1-3-5-11)12-8-14-15(22-7-6-21-14)9-13(12)17(19)20/h1-5,8-9H,6-7,10H2