7,7-dimethyl-9-(5-nitro-2-oxidanyl-phenyl)-1,5,6,9-tetrahydropyrazolo[5,1-b]quinazolin-8-one

Systemtic Name: 7,7-dimethyl-9-(5-nitro-2-oxidanyl-phenyl)-1,5,6,9-tetrahydropyrazolo[5,1-b]quinazolin-8-one Openeye Name: 9-(2-hydroxy-5-nitro-phenyl)-7,7-dimethyl-1,5,6,9-tetrahydropyrazolo[5,1-b]quinazolin-8-one CAS Name: 9-(2-hydroxy-5-nitrophenyl)-7,7-dimethyl-1,5,6,9-tetrahydropyrazolo[5,1-b]quinazolin-8-one IUPAC Name: 9-(2-hydroxy-5-nitrophenyl)-7,7-dimethyl-1,5,6,9-tetrahydropyrazolo[5,1-b]quinazolin-8-one Traditional Name: 9-(2-hydroxy-5-nitro-phenyl)-7,7-dimethyl-1,5,6,9-tetrahydropyrazolo[5,1-b]quinazolin-8-one Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(C1=O)C(N3C(=N2)C=CN3)C4=C(C=CC(=C4)[N+](=O)[O-])O)C

Isomeric SMILES

CC1(CCC2=C(C1=O)C(N3C(=N2)C=CN3)C4=C(C=CC(=C4)[N+](=O)[O-])O)C

InChI

InChI=1S/C18H18N4O4/c1-18(2)7-5-12-15(17(18)24)16(21-14(20-12)6-8-19-21)11-9-10(22(25)26)3-4-13(11)23/h3-4,6,8-9,16,19,23H,5,7H2,1-2H3