ethyl 2-(1,3-dimethyl-5-oxidanylidene-pyrazolo[3,4-b][1,4]benzoxazepin-4-yl)ethanoate

Systemtic Name: ethyl 2-(1,3-dimethyl-5-oxidanylidene-pyrazolo[3,4-b][1,4]benzoxazepin-4-yl)ethanoate Openeye Name: ethyl 2-(1,3-dimethyl-5-oxo-pyrazolo[3,4-b][1,4]benzoxazepin-4-yl)acetate CAS Name: 2-(1,3-dimethyl-5-oxo-4-pyrazolo[3,4-b][1,4]benzoxazepinyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(1,3-dimethyl-5-oxopyrazolo[3,4-b][1,4]benzoxazepin-4-yl)acetate Traditional Name: 2-(5-keto-1,3-dimethyl-pyrazolo[3,4-b][1,4]benzoxazepin-4-yl)acetic acid ethyl ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(N(N=C2C)C)OC3=CC=CC=C3C1=O

Isomeric SMILES

CCOC(=O)CN1C2=C(N(N=C2C)C)OC3=CC=CC=C3C1=O

InChI

InChI=1S/C16H17N3O4/c1-4-22-13(20)9-19-14-10(2)17-18(3)16(14)23-12-8-6-5-7-11(12)15(19)21/h5-8H,4,9H2,1-3H3