3-nitro-2-[4-(2-phenylpropan-2-yl)phenoxy]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 3-nitro-2-[4-(2-phenylpropan-2-yl)phenoxy]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 3-nitro-2-[4-(2-phenylpropan-2-yl)phenoxy]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 3-nitro-2-[4-(2-phenylpropan-2-yl)phenoxy]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(4-cumylphenoxy)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C23H20N3O4+ MolecularWeight: 402.4226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O4/c1-23(2,16-8-4-3-5-9-16)17-11-13-18(14-12-17)30-21-20(26(28)29)22(27)25-15-7-6-10-19(25)24-21/h3-15H,1-2H3/p+1