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

Systemtic Name: 3-[[4-nitro-5-[(phenylmethyl)amino]-2,1,3-benzoxadiazol-7-yl]amino]phenol Openeye Name: 3-[[5-(benzylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]phenol CAS Name: 3-[[4-nitro-5-[(phenylmethyl)amino]-2,1,3-benzoxadiazol-7-yl]amino]phenol IUPAC Name: 3-[[5-(benzylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]phenol Traditional Name: 3-[[6-(benzylamino)-7-nitro-benzofurazan-4-yl]amino]phenol Formula: C19H15N5O4 MolecularWeight: 377.3535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C3=NON=C3C(=C2)NC4=CC(=CC=C4)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C3=NON=C3C(=C2)NC4=CC(=CC=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O4/c25-14-8-4-7-13(9-14)21-15-10-16(20-11-12-5-2-1-3-6-12)19(24(26)27)18-17(15)22-28-23-18/h1-10,20-21,25H,11H2