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

Systemtic Name: 2-[[7-[butyl-(phenylmethyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol Openeye Name: 2-[[7-[benzyl(butyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol CAS Name: 2-[[7-[butyl-(phenylmethyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol IUPAC Name: 2-[[7-[benzyl(butyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol Traditional Name: 2-[[7-[benzyl(butyl)amino]-4-nitro-benzofurazan-5-yl]amino]ethanol Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCO

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCO

InChI

InChI=1S/C19H23N5O4/c1-2-3-10-23(13-14-7-5-4-6-8-14)16-12-15(20-9-11-25)19(24(26)27)18-17(16)21-28-22-18/h4-8,12,20,25H,2-3,9-11,13H2,1H3