ethyl 4-chloranyl-7-nitro-[1,2,4]triazolo[4,3-a]quinoxaline-1-carboxylate

Systemtic Name: ethyl 4-chloranyl-7-nitro-[1,2,4]triazolo[4,3-a]quinoxaline-1-carboxylate Openeye Name: ethyl 4-chloro-7-nitro-[1,2,4]triazolo[4,3-a]quinoxaline-1-carboxylate CAS Name: 4-chloro-7-nitro-[1,2,4]triazolo[4,3-a]quinoxaline-1-carboxylic acid ethyl ester IUPAC Name: ethyl 4-chloro-7-nitro-[1,2,4]triazolo[4,3-a]quinoxaline-1-carboxylate Traditional Name: 4-chloro-7-nitro-[1,2,4]triazolo[4,3-a]quinoxaline-1-carboxylic acid ethyl ester Formula: C12H8ClN5O4 MolecularWeight: 321.67602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN=C2N1C3=C(C=C(C=C3)[N+](=O)[O-])N=C2Cl

Isomeric SMILES

CCOC(=O)C1=NN=C2N1C3=C(C=C(C=C3)[N+](=O)[O-])N=C2Cl

InChI

InChI=1S/C12H8ClN5O4/c1-2-22-12(19)11-16-15-10-9(13)14-7-5-6(18(20)21)3-4-8(7)17(10)11/h3-5H,2H2,1H3