N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-chloranyl-4-nitro-benzamide

Systemtic Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-chloranyl-4-nitro-benzamide Openeye Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-chloro-4-nitro-benzamide CAS Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-chloro-4-nitrobenzamide IUPAC Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-chloro-4-nitrobenzamide Traditional Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-chloro-4-nitro-benzamide Formula: C19H18ClN5O3 MolecularWeight: 399.83092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H18ClN5O3/c1-19(2,3)12-6-4-11(5-7-12)16-21-18(24-23-16)22-17(26)14-9-8-13(25(27)28)10-15(14)20/h4-10H,1-3H3,(H2,21,22,23,24,26)