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

Systemtic Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-2-methyl-3-nitro-benzamide Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O3/c1-4-5-7-18-10-12-19(13-11-18)29-27-22-14-16(2)21(15-23(22)28-29)26-25(31)20-8-6-9-24(17(20)3)30(32)33/h6,8-15H,4-5,7H2,1-3H3,(H,26,31)