2-phenoxyethyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: 2-phenoxyethyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: 2-phenoxyethyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid 2-phenoxyethyl ester Formula: C16H13NO7 MolecularWeight: 331.27692

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)OCCOC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)OCCOC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO7/c18-16(22-7-6-21-11-4-2-1-3-5-11)12-8-14-15(24-10-23-14)9-13(12)17(19)20/h1-5,8-9H,6-7,10H2