5,5-dimethyl-2-[[5-nitro-2-[(5-oxidanylidene-5-pyridin-3-yl-pentyl)amino]phenyl]methyl]-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 5,5-dimethyl-2-[[5-nitro-2-[(5-oxidanylidene-5-pyridin-3-yl-pentyl)amino]phenyl]methyl]-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 3-hydroxy-5,5-dimethyl-2-[[5-nitro-2-[[5-oxo-5-(3-pyridyl)pentyl]amino]phenyl]methyl]cyclohex-2-en-1-one CAS Name: 3-hydroxy-5,5-dimethyl-2-[[5-nitro-2-[[5-oxo-5-(3-pyridinyl)pentyl]amino]phenyl]methyl]-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-5,5-dimethyl-2-[[5-nitro-2-[(5-oxo-5-pyridin-3-ylpentyl)amino]phenyl]methyl]cyclohex-2-en-1-one Traditional Name: 3-hydroxy-2-[2-[[5-keto-5-(3-pyridyl)pentyl]amino]-5-nitro-benzyl]-5,5-dimethyl-cyclohex-2-en-1-one Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)CC2=C(C=CC(=C2)[N+](=O)[O-])NCCCCC(=O)C3=CN=CC=C3)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)CC2=C(C=CC(=C2)[N+](=O)[O-])NCCCCC(=O)C3=CN=CC=C3)O)C

InChI

InChI=1S/C25H29N3O5/c1-25(2)14-23(30)20(24(31)15-25)13-18-12-19(28(32)33)8-9-21(18)27-11-4-3-7-22(29)17-6-5-10-26-16-17/h5-6,8-10,12,16,27,30H,3-4,7,11,13-15H2,1-2H3