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

Systemtic Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-4-ethoxy-3-nitro-benzamide Formula: C26H27N5O4 MolecularWeight: 473.52368

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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)OCC)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O4/c1-4-6-7-18-8-11-20(12-9-18)30-28-22-14-17(3)21(16-23(22)29-30)27-26(32)19-10-13-25(35-5-2)24(15-19)31(33)34/h8-16H,4-7H2,1-3H3,(H,27,32)