ethyl 4-[(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(5-ethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)amino]-4-oxo-butanoate CAS Name: 4-[(5-ethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)amino]-4-oxobutanoate Traditional Name: 4-[(5-ethyl-6-keto-benzo[b][1,4]benzoxazepin-8-yl)amino]-4-keto-butyric acid ethyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NC(=O)CCC(=O)OCC

Isomeric SMILES

CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NC(=O)CCC(=O)OCC

InChI

InChI=1S/C21H22N2O5/c1-3-23-16-7-5-6-8-18(16)28-17-10-9-14(13-15(17)21(23)26)22-19(24)11-12-20(25)27-4-2/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,24)