4-[1-(3,4-diethoxyphenyl)ethylamino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[1-(3,4-diethoxyphenyl)ethylamino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[1-(3,4-diethoxyphenyl)ethylamino]-3-nitro-benzonitrile CAS Name: 4-[1-(3,4-diethoxyphenyl)ethylamino]-3-nitrobenzonitrile IUPAC Name: 4-[1-(3,4-diethoxyphenyl)ethylamino]-3-nitrobenzonitrile Traditional Name: 4-[1-(3,4-diethoxyphenyl)ethylamino]-3-nitro-benzonitrile Formula: C19H21N3O4 MolecularWeight: 355.38774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)NC2=C(C=C(C=C2)C#N)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C)NC2=C(C=C(C=C2)C#N)[N+](=O)[O-])OCC

InChI

InChI=1S/C19H21N3O4/c1-4-25-18-9-7-15(11-19(18)26-5-2)13(3)21-16-8-6-14(12-20)10-17(16)22(23)24/h6-11,13,21H,4-5H2,1-3H3