ethyl 2-(8,10-dimethyl-5-oxidanylidene-pyridazino[3,4-b][1,5]benzoxazepin-6-yl)ethanoate

Systemtic Name: ethyl 2-(8,10-dimethyl-5-oxidanylidene-pyridazino[3,4-b][1,5]benzoxazepin-6-yl)ethanoate Openeye Name: ethyl 2-(8,10-dimethyl-5-oxo-pyridazino[3,4-b][1,5]benzoxazepin-6-yl)acetate CAS Name: 2-(8,10-dimethyl-5-oxo-6-pyridazino[3,4-b][1,5]benzoxazepinyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(8,10-dimethyl-5-oxopyridazino[3,4-b][1,5]benzoxazepin-6-yl)acetate Traditional Name: 2-(5-keto-8,10-dimethyl-pyridazino[3,4-b][1,5]benzoxazepin-6-yl)acetic acid ethyl ester Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC(=CC(=C2OC3=C(C1=O)C=CN=N3)C)C

Isomeric SMILES

CCOC(=O)CN1C2=CC(=CC(=C2OC3=C(C1=O)C=CN=N3)C)C

InChI

InChI=1S/C17H17N3O4/c1-4-23-14(21)9-20-13-8-10(2)7-11(3)15(13)24-16-12(17(20)22)5-6-18-19-16/h5-8H,4,9H2,1-3H3