N-[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-5-(3-nitrophenyl)-2-furamide Formula: C27H22ClN5O4 MolecularWeight: 515.94768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H22ClN5O4/c1-2-3-5-17-8-10-19(11-9-17)32-30-23-15-21(28)22(16-24(23)31-32)29-27(34)26-13-12-25(37-26)18-6-4-7-20(14-18)33(35)36/h4,6-16H,2-3,5H2,1H3,(H,29,34)