4-[[7-[(3S)-3-methylpiperidin-1-yl]-4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-5-yl]imino]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[7-[(3S)-3-methylpiperidin-1-yl]-4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-5-yl]imino]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[7-[(3S)-3-methyl-1-piperidyl]-4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-5-yl]imino]cyclohexa-2,5-dien-1-one CAS Name: 4-[[7-[(3S)-3-methyl-1-piperidinyl]-4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-5-yl]imino]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[7-[(3S)-3-methylpiperidin-1-yl]-4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-5-yl]imino]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[7-[(3S)-3-methylpiperidino]-4-nitro-1,3-dihydrobenzofurazan-5-yl]imino]cyclohexa-2,5-dien-1-one Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C3C(=C(C(=C2)N=C4C=CC(=O)C=C4)[N+](=O)[O-])NON3

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C3C(=C(C(=C2)N=C4C=CC(=O)C=C4)[N+](=O)[O-])NON3

InChI

InChI=1S/C18H19N5O4/c1-11-3-2-8-22(10-11)15-9-14(19-12-4-6-13(24)7-5-12)18(23(25)26)17-16(15)20-27-21-17/h4-7,9,11,20-21H,2-3,8,10H2,1H3/t11-/m0/s1