ethyl 2-(2-oxidanylidene-5-pyridin-2-yl-4H-1,3,4-benzotriazepin-3-yl)ethanoate

Systemtic Name: ethyl 2-(2-oxidanylidene-5-pyridin-2-yl-4H-1,3,4-benzotriazepin-3-yl)ethanoate Openeye Name: ethyl 2-[2-oxo-5-(2-pyridyl)-4H-1,3,4-benzotriazepin-3-yl]acetate CAS Name: 2-[2-oxo-5-(2-pyridinyl)-4H-1,3,4-benzotriazepin-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-oxo-5-pyridin-2-yl-4H-1,3,4-benzotriazepin-3-yl)acetate Traditional Name: 2-[2-keto-5-(2-pyridyl)-4H-1,3,4-benzotriazepin-3-yl]acetic acid ethyl ester Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)N=C2C=CC=CC2=C(N1)C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)CN1C(=O)N=C2C=CC=CC2=C(N1)C3=CC=CC=N3

InChI

InChI=1S/C17H16N4O3/c1-2-24-15(22)11-21-17(23)19-13-8-4-3-7-12(13)16(20-21)14-9-5-6-10-18-14/h3-10,20H,2,11H2,1H3