4-(cyclohexylamino)-6-nitro-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

Systemtic Name: 4-(cyclohexylamino)-6-nitro-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one Openeye Name: 4-(cyclohexylamino)-6-nitro-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one CAS Name: 4-(cyclohexylamino)-6-nitro-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one IUPAC Name: 4-(cyclohexylamino)-6-nitro-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one Traditional Name: 4-(cyclohexylamino)-6-nitro-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC3=C(C=CC=C3[N+](=O)[O-])N4C2=NN(C4=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC2=NC3=C(C=CC=C3[N+](=O)[O-])N4C2=NN(C4=O)C5=CC=CC=C5

InChI

InChI=1S/C21H20N6O3/c28-21-25-16-12-7-13-17(27(29)30)18(16)23-19(22-14-8-3-1-4-9-14)20(25)24-26(21)15-10-5-2-6-11-15/h2,5-7,10-14H,1,3-4,8-9H2,(H,22,23)