2-chloranyl-4-nitro-aniline; 2-[1-cyanoethyl(phenyl)amino]propanenitrile

Systemtic Name: 2-chloranyl-4-nitro-aniline; 2-[1-cyanoethyl(phenyl)amino]propanenitrile Openeye Name: 2-chloro-4-nitro-aniline; 2-[N-(1-cyanoethyl)anilino]propanenitrile CAS Name: 2-chloro-4-nitroaniline; 2-[N-(1-cyanoethyl)anilino]propanenitrile IUPAC Name: 2-chloro-4-nitroaniline; 2-[N-(1-cyanoethyl)anilino]propanenitrile Traditional Name: (2-chloro-4-nitro-phenyl)amine; 2-[N-(1-cyanoethyl)anilino]propionitrile Formula: C18H18ClN5O2 MolecularWeight: 371.82082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)N(C1=CC=CC=C1)C(C)C#N.C1=CC(=C(C=C1[N+](=O)[O-])Cl)N

Isomeric SMILES

CC(C#N)N(C1=CC=CC=C1)C(C)C#N.C1=CC(=C(C=C1[N+](=O)[O-])Cl)N

InChI

InChI=1S/C12H13N3.C6H5ClN2O2/c1-10(8-13)15(11(2)9-14)12-6-4-3-5-7-12;7-5-3-4(9(10)11)1-2-6(5)8/h3-7,10-11H,1-2H3;1-3H,8H2