2,3-dihydro-1,4-benzodioxin-3-ylmethyl 4-nitrobenzoate

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 4-nitrobenzoate Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester Formula: C16H13NO6 MolecularWeight: 315.27752

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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