[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-(2,4-dinitrophenyl)ethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-(2,4-dinitrophenyl)ethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-(2,4-dinitrophenyl)acetate CAS Name: 2-(2,4-dinitrophenyl)acetic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(2,4-dinitrophenyl)acetate Traditional Name: 2-(2,4-dinitrophenyl)acetic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C18H15N3O9 MolecularWeight: 417.3264

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O9/c22-17(19-8-11-1-4-15-16(5-11)30-10-29-15)9-28-18(23)6-12-2-3-13(20(24)25)7-14(12)21(26)27/h1-5,7H,6,8-10H2,(H,19,22)