N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-piperidino-benzamide Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O4/c1-2-18-6-8-19(9-7-18)27-29-22-17-21(11-13-25(22)35-27)28-26(32)20-10-12-23(24(16-20)31(33)34)30-14-4-3-5-15-30/h6-13,16-17H,2-5,14-15H2,1H3,(H,28,32)