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

Systemtic Name: [2-[(2-ethoxy-2-oxidanylidene-ethyl)-phenyl-amino]-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(N-(2-ethoxy-2-oxo-ethyl)anilino)-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-(N-(2-ethoxy-2-keto-ethyl)anilino)-2-keto-ethyl] ester Formula: C20H18N2O9 MolecularWeight: 430.36492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCOC(=O)CN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C20H18N2O9/c1-2-28-19(24)10-21(13-6-4-3-5-7-13)18(23)11-29-20(25)14-8-16-17(31-12-30-16)9-15(14)22(26)27/h3-9H,2,10-12H2,1H3