N-[3-(1,3-benzodioxol-5-ylmethylamino)-1,4-bis(oxidanylidene)naphthalen-2-yl]propanamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-1,4-bis(oxidanylidene)naphthalen-2-yl]propanamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-1,4-dioxo-2-naphthyl]propanamide CAS Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-1,4-dioxo-2-naphthalenyl]propanamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-1,4-dioxonaphthalen-2-yl]propanamide Traditional Name: N-[1,4-diketo-3-(piperonylamino)-2-naphthyl]propionamide Formula: C21H18N2O5 MolecularWeight: 378.37802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18N2O5/c1-2-17(24)23-19-18(20(25)13-5-3-4-6-14(13)21(19)26)22-10-12-7-8-15-16(9-12)28-11-27-15/h3-9,22H,2,10-11H2,1H3,(H,23,24)