2-[[4-nitro-7-[phenethyl-(phenylmethyl)amino]-2,1,3-benzoxadiazol-5-yl]amino]ethanol

Systemtic Name: 2-[[4-nitro-7-[phenethyl-(phenylmethyl)amino]-2,1,3-benzoxadiazol-5-yl]amino]ethanol Openeye Name: 2-[[7-[benzyl(phenethyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol CAS Name: 2-[[4-nitro-7-[phenethyl-(phenylmethyl)amino]-2,1,3-benzoxadiazol-5-yl]amino]ethanol IUPAC Name: 2-[[7-[benzyl(phenethyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol Traditional Name: 2-[[7-[benzyl(phenethyl)amino]-4-nitro-benzofurazan-5-yl]amino]ethanol Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCO

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCO

InChI

InChI=1S/C23H23N5O4/c29-14-12-24-19-15-20(21-22(26-32-25-21)23(19)28(30)31)27(16-18-9-5-2-6-10-18)13-11-17-7-3-1-4-8-17/h1-10,15,24,29H,11-14,16H2