N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-5-nitro-furan-2-carboxamide CAS Name: N-[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-5-nitro-2-furamide Formula: C22H21N5O4 MolecularWeight: 419.43324

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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(O4)[N+](=O)[O-])C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=CC=C(O4)[N+](=O)[O-])C

InChI

InChI=1S/C22H21N5O4/c1-3-4-5-15-6-8-16(9-7-15)26-24-18-12-14(2)17(13-19(18)25-26)23-22(28)20-10-11-21(31-20)27(29)30/h6-13H,3-5H2,1-2H3,(H,23,28)