2-[4-(5-chloranyl-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-nitrophenyl)propanamide

Systemtic Name: 2-[4-(5-chloranyl-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-nitrophenyl)propanamide Openeye Name: 2-[4-(5-chloro-1,3-benzoxazol-2-yl)-1-piperidyl]-N-(2-nitrophenyl)propanamide CAS Name: 2-[4-(5-chloro-1,3-benzoxazol-2-yl)-1-piperidinyl]-N-(2-nitrophenyl)propanamide IUPAC Name: 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-nitrophenyl)propanamide Traditional Name: 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidino]-N-(2-nitrophenyl)propionamide Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])N2CCC(CC2)C3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])N2CCC(CC2)C3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H21ClN4O4/c1-13(20(27)23-16-4-2-3-5-18(16)26(28)29)25-10-8-14(9-11-25)21-24-17-12-15(22)6-7-19(17)30-21/h2-7,12-14H,8-11H2,1H3,(H,23,27)