N-[2-(4-butylphenyl)benzotriazol-5-yl]-3-nitro-benzamide

Systemtic Name: N-[2-(4-butylphenyl)benzotriazol-5-yl]-3-nitro-benzamide Openeye Name: N-[2-(4-butylphenyl)benzotriazol-5-yl]-3-nitro-benzamide CAS Name: N-[2-(4-butylphenyl)-5-benzotriazolyl]-3-nitrobenzamide IUPAC Name: N-[2-(4-butylphenyl)benzotriazol-5-yl]-3-nitrobenzamide Traditional Name: N-[2-(4-butylphenyl)benzotriazol-5-yl]-3-nitro-benzamide Formula: C23H21N5O3 MolecularWeight: 415.44454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O3/c1-2-3-5-16-8-11-19(12-9-16)27-25-21-13-10-18(15-22(21)26-27)24-23(29)17-6-4-7-20(14-17)28(30)31/h4,6-15H,2-3,5H2,1H3,(H,24,29)