1,3-benzodioxol-5-ylmethyl 4-nitrobenzoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4-nitrobenzoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid piperonyl ester Formula: C15H11NO6 MolecularWeight: 301.25094

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11NO6/c17-15(11-2-4-12(5-3-11)16(18)19)20-8-10-1-6-13-14(7-10)22-9-21-13/h1-7H,8-9H2