N-[2-chloranyl-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[2-chloranyl-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[2-chloro-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[2-chloro-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[2-chloro-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[2-chloro-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-piperidino-benzamide Formula: C27H25ClN4O4 MolecularWeight: 504.9648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-])C

InChI

InChI=1S/C27H25ClN4O4/c1-16-12-17(2)25-22(13-16)30-27(36-25)19-6-8-20(28)21(14-19)29-26(33)18-7-9-23(24(15-18)32(34)35)31-10-4-3-5-11-31/h6-9,12-15H,3-5,10-11H2,1-2H3,(H,29,33)