tert-butyl N-[2-[(1-chloranyl-9-oxidanylidene-10H-acridin-4-yl)carbonylamino]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[(1-chloranyl-9-oxidanylidene-10H-acridin-4-yl)carbonylamino]ethyl]carbamate Openeye Name: tert-butyl N-[2-[(1-chloro-9-oxo-10H-acridine-4-carbonyl)amino]ethyl]carbamate CAS Name: N-[2-[[(1-chloro-9-oxo-10H-acridin-4-yl)-oxomethyl]amino]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[(1-chloro-9-oxo-10H-acridine-4-carbonyl)amino]ethyl]carbamate Traditional Name: N-[2-[(1-chloro-9-keto-10H-acridine-4-carbonyl)amino]ethyl]carbamic acid tert-butyl ester Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCNC(=O)C1=C2C(=C(C=C1)Cl)C(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)OC(=O)NCCNC(=O)C1=C2C(=C(C=C1)Cl)C(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H22ClN3O4/c1-21(2,3)29-20(28)24-11-10-23-19(27)13-8-9-14(22)16-17(13)25-15-7-5-4-6-12(15)18(16)26/h4-9H,10-11H2,1-3H3,(H,23,27)(H,24,28)(H,25,26)