N-[5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C27H25ClN4O4 MolecularWeight: 504.9648

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C4=NC5=C(O4)C=CC(=C5)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C4=NC5=C(O4)C=CC(=C5)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C27H25ClN4O4/c1-16-9-11-31(12-10-16)23-7-5-18(14-24(23)32(34)35)26(33)29-21-13-19(4-3-17(21)2)27-30-22-15-20(28)6-8-25(22)36-27/h3-8,13-16H,9-12H2,1-2H3,(H,29,33)