ethyl 6-methyl-9-nitro-5-oxidanylidene-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate

Systemtic Name: ethyl 6-methyl-9-nitro-5-oxidanylidene-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate Openeye Name: ethyl 6-methyl-9-nitro-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate CAS Name: 6-methyl-9-nitro-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-9-nitro-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate Traditional Name: 5-keto-6-methyl-9-nitro-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid ethyl ester Formula: C13H11N5O5 MolecularWeight: 317.25694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN2C(=N1)C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=O)C

Isomeric SMILES

CCOC(=O)C1=NN2C(=N1)C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=O)C

InChI

InChI=1S/C13H11N5O5/c1-3-23-12(19)10-14-11-8-6-7(18(21)22)4-5-9(8)16(2)13(20)17(11)15-10/h4-6H,3H2,1-2H3