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4-(cyclopentylamino)-6-nitro-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
4-(cyclopentylamino)-6-nitro-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
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Descriptors Computed from Structure
Canonical SMILES:
C1CCC(C1)NC2=NC3=C(C=CC=C3[N+](=O)[O-])N4C2=NN(C4=O)C5=CC=CC=C5
Isomeric SMILES
C1CCC(C1)NC2=NC3=C(C=CC=C3[N+](=O)[O-])N4C2=NN(C4=O)C5=CC=CC=C5
InChI
InChI=1S/C20H18N6O3/c27-20-24-15-11-6-12-16(26(28)29)17(15)22-18(21-13-7-4-5-8-13)19(24)23-25(20)14-9-2-1-3-10-14/h1-3,6,9-13H,4-5,7-8H2,(H,21,22)
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