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[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate

[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name:[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate
Openeye Name:[2-oxo-2-(2-phenoxyethylamino)ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate
CAS Name:6-nitro-1,3-benzodioxole-5-carboxylic acid [2-oxo-2-(2-phenoxyethylamino)ethyl] ester
IUPAC Name:[2-oxo-2-(2-phenoxyethylamino)ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate
Traditional Name:6-nitro-piperonylic acid [2-keto-2-(2-phenoxyethylamino)ethyl] ester
Formula: C18H16N2O8
MolecularWeight: 388.32824
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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC(=O)NCCOC3=CC=CC=C3)[N+](=O)[O-]


Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC(=O)NCCOC3=CC=CC=C3)[N+](=O)[O-]


InChI

InChI=1S/C18H16N2O8/c21-17(19-6-7-25-12-4-2-1-3-5-12)10-26-18(22)13-8-15-16(28-11-27-15)9-14(13)20(23)24/h1-5,8-9H,6-7,10-11H2,(H,19,21)


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