ethyl 2-(9-methyl-5-oxidanylidene-pyridazino[3,4-b][1,5]benzoxazepin-6-yl)ethanoate

Systemtic Name: ethyl 2-(9-methyl-5-oxidanylidene-pyridazino[3,4-b][1,5]benzoxazepin-6-yl)ethanoate Openeye Name: ethyl 2-(9-methyl-5-oxo-pyridazino[3,4-b][1,5]benzoxazepin-6-yl)acetate CAS Name: 2-(9-methyl-5-oxo-6-pyridazino[3,4-b][1,5]benzoxazepinyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(9-methyl-5-oxopyridazino[3,4-b][1,5]benzoxazepin-6-yl)acetate Traditional Name: 2-(5-keto-9-methyl-pyridazino[3,4-b][1,5]benzoxazepin-6-yl)acetic acid ethyl ester Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C)OC3=C(C1=O)C=CN=N3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C)OC3=C(C1=O)C=CN=N3

InChI

InChI=1S/C16H15N3O4/c1-3-22-14(20)9-19-12-5-4-10(2)8-13(12)23-15-11(16(19)21)6-7-17-18-15/h4-8H,3,9H2,1-2H3