2-chloranyl-N-(1-cyanoethyl)-N-ethyl-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(1-cyanoethyl)-N-ethyl-4-nitro-benzamide Openeye Name: 2-chloro-N-(1-cyanoethyl)-N-ethyl-4-nitro-benzamide CAS Name: 2-chloro-N-(1-cyanoethyl)-N-ethyl-4-nitrobenzamide IUPAC Name: 2-chloro-N-(1-cyanoethyl)-N-ethyl-4-nitrobenzamide Traditional Name: 2-chloro-N-(1-cyanoethyl)-N-ethyl-4-nitro-benzamide Formula: C12H12ClN3O3 MolecularWeight: 281.69498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN3O3/c1-3-15(8(2)7-14)12(17)10-5-4-9(16(18)19)6-11(10)13/h4-6,8H,3H2,1-2H3