tert-butyl 4-[[2-bromanyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methylamino]benzoate

Systemtic Name: tert-butyl 4-[[2-bromanyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methylamino]benzoate Openeye Name: tert-butyl 4-[(2-bromo-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methylamino]benzoate CAS Name: 4-[(2-bromo-3,6-dioxo-1-cyclohexa-1,4-dienyl)methylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-bromo-3,6-dioxocyclohexa-1,4-dien-1-yl)methylamino]benzoate Traditional Name: 4-[(2-bromo-3,6-diketo-cyclohexa-1,4-dien-1-yl)methylamino]benzoic acid tert-butyl ester Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)NCC2=C(C(=O)C=CC2=O)Br

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)NCC2=C(C(=O)C=CC2=O)Br

InChI

InChI=1S/C18H18BrNO4/c1-18(2,3)24-17(23)11-4-6-12(7-5-11)20-10-13-14(21)8-9-15(22)16(13)19/h4-9,20H,10H2,1-3H3