N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-(homopiperonylamino)-2-keto-ethyl]-3-nitro-benzamide Formula: C18H17N3O6 MolecularWeight: 371.34408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O6/c22-17(10-20-18(23)13-2-1-3-14(9-13)21(24)25)19-7-6-12-4-5-15-16(8-12)27-11-26-15/h1-5,8-9H,6-7,10-11H2,(H,19,22)(H,20,23)