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

Systemtic Name: 3-[[7-[(3S)-3-methylpiperidin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenol Openeye Name: 3-[[7-[(3S)-3-methyl-1-piperidyl]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenol CAS Name: 3-[[7-[(3S)-3-methyl-1-piperidinyl]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenol IUPAC Name: 3-[[7-[(3S)-3-methylpiperidin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenol Traditional Name: 3-[[7-[(3S)-3-methylpiperidino]-4-nitro-benzofurazan-5-yl]amino]phenol Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC(=CC=C4)O

Isomeric SMILES

C[C@H]1CCCN(C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC(=CC=C4)O

InChI

InChI=1S/C18H19N5O4/c1-11-4-3-7-22(10-11)15-9-14(19-12-5-2-6-13(24)8-12)18(23(25)26)17-16(15)20-27-21-17/h2,5-6,8-9,11,19,24H,3-4,7,10H2,1H3/t11-/m0/s1