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

Systemtic Name: 2-chloranyl-4-nitro-aniline; 1-[1-cyanoethyl(phenyl)amino]ethyl ethanoate Openeye Name: 2-chloro-4-nitro-aniline; 1-[N-(1-cyanoethyl)anilino]ethyl acetate CAS Name: acetic acid 1-[N-(1-cyanoethyl)anilino]ethyl ester; 2-chloro-4-nitroaniline IUPAC Name: 2-chloro-4-nitroaniline; 1-[N-(1-cyanoethyl)anilino]ethyl acetate Traditional Name: acetic acid 1-[N-(1-cyanoethyl)anilino]ethyl ester; (2-chloro-4-nitro-phenyl)amine Formula: C19H21ClN4O4 MolecularWeight: 404.84744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O2.C6H5ClN2O2/c1-10(9-14)15(11(2)17-12(3)16)13-7-5-4-6-8-13;7-5-3-4(9(10)11)1-2-6(5)8/h4-8,10-11H,1-3H3;1-3H,8H2