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

Systemtic Name: 2-azanylethanol; 5-bromanyl-N-(2-chloranyl-4-nitro-phenyl)-2-oxidanyl-3-(phenylmethyl)benzamide Openeye Name: 2-aminoethanol; 3-benzyl-5-bromo-N-(2-chloro-4-nitro-phenyl)-2-hydroxy-benzamide CAS Name: 2-aminoethanol; 5-bromo-N-(2-chloro-4-nitrophenyl)-2-hydroxy-3-(phenylmethyl)benzamide IUPAC Name: 2-aminoethanol; 3-benzyl-5-bromo-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide Traditional Name: 2-aminoethanol; 3-benzyl-5-bromo-N-(2-chloro-4-nitro-phenyl)-2-hydroxy-benzamide Formula: C22H21BrClN3O5 MolecularWeight: 522.77624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrClN2O4.C2H7NO/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;3-1-2-4/h1-7,9-11,25H,8H2,(H,23,26);4H,1-3H2