N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylideneamino]-3-nitro-benzamide

Systemtic Name: N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylideneamino]-3-nitro-benzamide Openeye Name: N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylideneamino]-3-nitro-benzamide CAS Name: N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylideneamino]-3-nitrobenzamide IUPAC Name: N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylideneamino]-3-nitrobenzamide Traditional Name: N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylideneamino]-3-nitro-benzamide Formula: C18H17N3O5 MolecularWeight: 355.34468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC/C(=N\NC(=O)C1=CC(=CC=C1)[N+](=O)[O-])/C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H17N3O5/c1-2-15(12-6-7-16-17(11-12)26-9-8-25-16)19-20-18(22)13-4-3-5-14(10-13)21(23)24/h3-7,10-11H,2,8-9H2,1H3,(H,20,22)/b19-15+