2-[2-(diethylaminomethyl)pyrrol-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[2-(diethylaminomethyl)pyrrol-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[2-(diethylaminomethyl)pyrrol-1-yl]-5-nitro-benzonitrile CAS Name: 2-[2-(diethylaminomethyl)-1-pyrrolyl]-5-nitrobenzonitrile IUPAC Name: 2-[2-(diethylaminomethyl)pyrrol-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[2-(diethylaminomethyl)pyrrol-1-yl]-5-nitro-benzonitrile Formula: C16H18N4O2 MolecularWeight: 298.33972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCN(CC)CC1=CC=CN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H18N4O2/c1-3-18(4-2)12-15-6-5-9-19(15)16-8-7-14(20(21)22)10-13(16)11-17/h5-10H,3-4,12H2,1-2H3