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

Systemtic Name: ethyl 2-(3-chloranyl-5-oxidanylidene-pyridazino[3,4-b][1,5]benzoxazepin-6-yl)ethanoate Openeye Name: ethyl 2-(3-chloro-5-oxo-pyridazino[3,4-b][1,5]benzoxazepin-6-yl)acetate CAS Name: 2-(3-chloro-5-oxo-6-pyridazino[3,4-b][1,5]benzoxazepinyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(3-chloro-5-oxopyridazino[3,4-b][1,5]benzoxazepin-6-yl)acetate Traditional Name: 2-(3-chloro-5-keto-pyridazino[3,4-b][1,5]benzoxazepin-6-yl)acetic acid ethyl ester Formula: C15H12ClN3O4 MolecularWeight: 333.72648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2OC3=NN=C(C=C3C1=O)Cl

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2OC3=NN=C(C=C3C1=O)Cl

InChI

InChI=1S/C15H12ClN3O4/c1-2-22-13(20)8-19-10-5-3-4-6-11(10)23-14-9(15(19)21)7-12(16)17-18-14/h3-7H,2,8H2,1H3