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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C17H12N2O9 MolecularWeight: 388.28518

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C17H12N2O9/c20-16(18-9-1-2-12-13(3-9)26-7-25-12)6-24-17(21)10-4-14-15(28-8-27-14)5-11(10)19(22)23/h1-5H,6-8H2,(H,18,20)