5-bromanyl-N-(2-chloranyl-4-nitro-phenyl)-2-oxidanyl-3-(phenylmethyl)benzamide; piperazine

Systemtic Name: 5-bromanyl-N-(2-chloranyl-4-nitro-phenyl)-2-oxidanyl-3-(phenylmethyl)benzamide; piperazine Openeye Name: 3-benzyl-5-bromo-N-(2-chloro-4-nitro-phenyl)-2-hydroxy-benzamide; piperazine CAS Name: 5-bromo-N-(2-chloro-4-nitrophenyl)-2-hydroxy-3-(phenylmethyl)benzamide; piperazine IUPAC Name: 3-benzyl-5-bromo-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide; piperazine Traditional Name: 3-benzyl-5-bromo-N-(2-chloro-4-nitro-phenyl)-2-hydroxy-benzamide; piperazine Formula: C44H38Br2Cl2N6O8 MolecularWeight: 1009.52192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN1.C1=CC=C(C=C1)CC2=C(C(=CC(=C2)Br)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)O.C1=CC=C(C=C1)CC2=C(C(=CC(=C2)Br)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)O

Isomeric SMILES

C1CNCCN1.C1=CC=C(C=C1)CC2=C(C(=CC(=C2)Br)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)O.C1=CC=C(C=C1)CC2=C(C(=CC(=C2)Br)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)O

InChI

InChI=1S/2C20H14BrClN2O4.C4H10N2/c2*21-14-9-13(8-12-4-2-1-3-5-12)19(25)16(10-14)20(26)23-18-7-6-15(24(27)28)11-17(18)22;1-2-6-4-3-5-1/h2*1-7,9-11,25H,8H2,(H,23,26);5-6H,1-4H2