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

Systemtic Name: N-[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-5-nitro-furan-2-carboxamide CAS Name: N-[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-5-nitro-2-furamide Formula: C21H18ClN5O4 MolecularWeight: 439.85172

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN5O4/c1-2-3-4-13-5-7-14(8-6-13)26-24-17-11-15(22)16(12-18(17)25-26)23-21(28)19-9-10-20(31-19)27(29)30/h5-12H,2-4H2,1H3,(H,23,28)