N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-4-chloro-3-nitro-benzamide CAS Name: N-[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-4-chloro-3-nitrobenzamide Traditional Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-4-chloro-3-nitro-benzamide Formula: C24H22ClN5O3 MolecularWeight: 463.91618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN5O3/c1-3-4-5-16-6-9-18(10-7-16)29-27-21-12-15(2)20(14-22(21)28-29)26-24(31)17-8-11-19(25)23(13-17)30(32)33/h6-14H,3-5H2,1-2H3,(H,26,31)