tert-butyl 2-[[9-bromanyl-7-chloranyl-4-methyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-1-yl]methylideneamino]ethanoate

Systemtic Name: tert-butyl 2-[[9-bromanyl-7-chloranyl-4-methyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-1-yl]methylideneamino]ethanoate Openeye Name: tert-butyl 2-[(9-bromo-7-chloro-4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)methyleneamino]acetate CAS Name: 2-[(9-bromo-7-chloro-4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)methylideneamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(9-bromo-7-chloro-4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)methylideneamino]acetate Traditional Name: 2-[(9-bromo-7-chloro-2,5-diketo-4-methyl-3H-1,4-benzodiazepin-1-yl)methyleneamino]acetic acid tert-butyl ester Formula: C17H19BrClN3O4 MolecularWeight: 444.70746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN=CN1C(=O)CN(C(=O)C2=CC(=CC(=C21)Br)Cl)C

Isomeric SMILES

CC(C)(C)OC(=O)CN=CN1C(=O)CN(C(=O)C2=CC(=CC(=C21)Br)Cl)C

InChI

InChI=1S/C17H19BrClN3O4/c1-17(2,3)26-14(24)7-20-9-22-13(23)8-21(4)16(25)11-5-10(19)6-12(18)15(11)22/h5-6,9H,7-8H2,1-4H3