tert-butyl 2-(5-oxidanylidene-11H-pyrido[3,2-c][1,5]benzodiazepin-6-yl)ethanoate

Systemtic Name: tert-butyl 2-(5-oxidanylidene-11H-pyrido[3,2-c][1,5]benzodiazepin-6-yl)ethanoate Openeye Name: tert-butyl 2-(5-oxo-11H-pyrido[3,2-c][1,5]benzodiazepin-6-yl)acetate CAS Name: 2-(5-oxo-11H-pyrido[3,2-c][1,5]benzodiazepin-6-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(5-oxo-11H-pyrido[3,2-c][1,5]benzodiazepin-6-yl)acetate Traditional Name: 2-(5-keto-11H-pyrido[3,2-c][1,5]benzodiazepin-6-yl)acetic acid tert-butyl ester Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=CC=CC=C2NC3=C(C1=O)C=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=CC=CC=C2NC3=C(C1=O)C=CC=N3

InChI

InChI=1S/C18H19N3O3/c1-18(2,3)24-15(22)11-21-14-9-5-4-8-13(14)20-16-12(17(21)23)7-6-10-19-16/h4-10H,11H2,1-3H3,(H,19,20)