methyl 8-nitro-4H-[1,2,3]triazolo[1,5-a][1]benzazepine-5-carboxylate

Systemtic Name: methyl 8-nitro-4H-[1,2,3]triazolo[1,5-a][1]benzazepine-5-carboxylate Openeye Name: methyl 8-nitro-4H-triazolo[1,5-a][1]benzazepine-5-carboxylate CAS Name: 8-nitro-4H-triazolo[1,5-a][1]benzazepine-5-carboxylic acid methyl ester IUPAC Name: methyl 8-nitro-4H-triazolo[1,5-a][1]benzazepine-5-carboxylate Traditional Name: 8-nitro-4H-triazolo[1,5-a][1]benzazepine-5-carboxylic acid methyl ester Formula: C13H10N4O4 MolecularWeight: 286.2429

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])N3C(=CN=N3)C1

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])N3C(=CN=N3)C1

InChI

InChI=1S/C13H10N4O4/c1-21-13(18)9-4-8-5-10(17(19)20)2-3-12(8)16-11(6-9)7-14-15-16/h2-5,7H,6H2,1H3