5-bromanyl-N-(2-chloranyl-4-nitro-phenyl)-2-oxidanyl-3-(phenylmethyl)benzamide; dodecan-1-amine

Systemtic Name: 5-bromanyl-N-(2-chloranyl-4-nitro-phenyl)-2-oxidanyl-3-(phenylmethyl)benzamide; dodecan-1-amine Openeye Name: 3-benzyl-5-bromo-N-(2-chloro-4-nitro-phenyl)-2-hydroxy-benzamide; dodecan-1-amine CAS Name: 5-bromo-N-(2-chloro-4-nitrophenyl)-2-hydroxy-3-(phenylmethyl)benzamide; 1-dodecanamine IUPAC Name: 3-benzyl-5-bromo-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide; dodecan-1-amine Traditional Name: 3-benzyl-5-bromo-N-(2-chloro-4-nitro-phenyl)-2-hydroxy-benzamide; laurylamine Formula: C32H41BrClN3O4 MolecularWeight: 647.04264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN.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

CCCCCCCCCCCCN.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/C20H14BrClN2O4.C12H27N/c21-14-9-13(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;1-2-3-4-5-6-7-8-9-10-11-12-13/h1-7,9-11,25H,8H2,(H,23,26);2-13H2,1H3