ethyl 9-nitro-5-oxidanylidene-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate

Systemtic Name: ethyl 9-nitro-5-oxidanylidene-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate Openeye Name: ethyl 9-nitro-5-oxo-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate CAS Name: 9-nitro-5-oxo-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 9-nitro-5-oxo-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate Traditional Name: 5-keto-9-nitro-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid ethyl ester Formula: C12H9N5O5 MolecularWeight: 303.23036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C3C=C(C=CC3=NC(=O)N2N1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NC2=C3C=C(C=CC3=NC(=O)N2N1)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O5/c1-2-22-11(18)9-14-10-7-5-6(17(20)21)3-4-8(7)13-12(19)16(10)15-9/h3-5H,2H2,1H3,(H,14,15)