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

Systemtic Name: ethyl 2-(2-oxidanylidene-5-phenyl-4H-1,3,4-benzotriazepin-3-yl)ethanoate Openeye Name: ethyl 2-(2-oxo-5-phenyl-4H-1,3,4-benzotriazepin-3-yl)acetate CAS Name: 2-(2-oxo-5-phenyl-4H-1,3,4-benzotriazepin-3-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(2-oxo-5-phenyl-4H-1,3,4-benzotriazepin-3-yl)acetate Traditional Name: 2-(2-keto-5-phenyl-4H-1,3,4-benzotriazepin-3-yl)acetic acid ethyl ester Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3/c1-2-24-16(22)12-21-18(23)19-15-11-7-6-10-14(15)17(20-21)13-8-4-3-5-9-13/h3-11,20H,2,12H2,1H3