2-chloranyl-N-[4-(cyanomethyl)phenyl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[4-(cyanomethyl)phenyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[4-(cyanomethyl)phenyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[4-(cyanomethyl)phenyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[4-(cyanomethyl)phenyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[4-(cyanomethyl)phenyl]-5-nitro-benzamide Formula: C15H10ClN3O3 MolecularWeight: 315.7112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H10ClN3O3/c16-14-6-5-12(19(21)22)9-13(14)15(20)18-11-3-1-10(2-4-11)7-8-17/h1-6,9H,7H2,(H,18,20)