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

Systemtic Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-4-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=CC(=C(C=C4)C)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O3/c1-4-5-6-18-8-11-20(12-9-18)29-27-22-13-17(3)21(15-23(22)28-29)26-25(31)19-10-7-16(2)24(14-19)30(32)33/h7-15H,4-6H2,1-3H3,(H,26,31)