7-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxy-4-(trifluoromethyl)chromen-2-one

Systemtic Name: 7-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxy-4-(trifluoromethyl)chromen-2-one Openeye Name: 7-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxy-4-(trifluoromethyl)chromen-2-one CAS Name: 7-[[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]oxy]-4-(trifluoromethyl)-1-benzopyran-2-one IUPAC Name: 7-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]oxy-4-(trifluoromethyl)chromen-2-one Traditional Name: 7-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxy-4-(trifluoromethyl)coumarin Formula: C17H11F3N4O5 MolecularWeight: 408.28825

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])OC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])OC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F

InChI

InChI=1S/C17H11F3N4O5/c18-17(19,20)11-6-14(25)29-13-5-9(3-4-10(11)13)28-16-21-7-12(24(26)27)15(23-16)22-8-1-2-8/h3-8H,1-2H2,(H,21,22,23)