N-[2-(3-chloranyl-4-methoxy-phenyl)benzotriazol-5-yl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[2-(3-chloranyl-4-methoxy-phenyl)benzotriazol-5-yl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[2-(3-chloro-4-methoxyphenyl)-5-benzotriazolyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]-3-nitro-4-piperidino-benzamide Formula: C25H23ClN6O4 MolecularWeight: 506.94092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-])Cl

InChI

InChI=1S/C25H23ClN6O4/c1-36-24-10-7-18(15-19(24)26)31-28-20-8-6-17(14-21(20)29-31)27-25(33)16-5-9-22(23(13-16)32(34)35)30-11-3-2-4-12-30/h5-10,13-15H,2-4,11-12H2,1H3,(H,27,33)