(E)-N-(6-nitropyren-1-yl)octadec-9-enamide

Systemtic Name: (E)-N-(6-nitropyren-1-yl)octadec-9-enamide Openeye Name: (E)-N-(6-nitropyren-1-yl)octadec-9-enamide CAS Name: (E)-N-(6-nitro-1-pyrenyl)-9-octadecenamide IUPAC Name: (E)-N-(6-nitropyren-1-yl)octadec-9-enamide Traditional Name: (E)-N-(6-nitropyren-1-yl)octadec-9-enamide Formula: C34H42N2O3 MolecularWeight: 526.70888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC1=C2C=CC3=C4C2=C(C=CC4=C(C=C3)[N+](=O)[O-])C=C1

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC1=C2C=CC3=C4C2=C(C=CC4=C(C=C3)[N+](=O)[O-])C=C1

InChI

InChI=1S/C34H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-32(37)35-30-24-20-26-19-23-29-31(36(38)39)25-21-27-18-22-28(30)33(26)34(27)29/h9-10,18-25H,2-8,11-17H2,1H3,(H,35,37)/b10-9+