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

Systemtic Name: 3-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenol Openeye Name: 3-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenol CAS Name: 3-[[7-(1-azepanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenol IUPAC Name: 3-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenol Traditional Name: 3-[[7-(azepan-1-yl)-4-nitro-benzofurazan-5-yl]amino]phenol Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC(=CC=C4)O

Isomeric SMILES

C1CCCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC(=CC=C4)O

InChI

InChI=1S/C18H19N5O4/c24-13-7-5-6-12(10-13)19-14-11-15(22-8-3-1-2-4-9-22)16-17(21-27-20-16)18(14)23(25)26/h5-7,10-11,19,24H,1-4,8-9H2