N-[2-(3-chloranyl-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[2-(3-chloranyl-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[2-(3-chloro-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[2-(3-chloro-4-methoxyphenyl)-6-methyl-5-benzotriazolyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[2-(3-chloro-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-4-piperidino-benzamide Formula: C26H25ClN6O4 MolecularWeight: 520.9675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C5=CC(=C(C=C5)OC)Cl

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C5=CC(=C(C=C5)OC)Cl

InChI

InChI=1S/C26H25ClN6O4/c1-16-12-21-22(30-32(29-21)18-7-9-25(37-2)19(27)14-18)15-20(16)28-26(34)17-6-8-23(24(13-17)33(35)36)31-10-4-3-5-11-31/h6-9,12-15H,3-5,10-11H2,1-2H3,(H,28,34)