[4-[[2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]iminomethyl]phenyl] 2-bromanylbenzoate

Systemtic Name: [4-[[2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]iminomethyl]phenyl] 2-bromanylbenzoate Openeye Name: [4-[(2,4-dioxohexahydropyrimidin-5-yl)iminomethyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-[(2,4-dioxo-1,3-diazinan-5-yl)iminomethyl]phenyl] ester IUPAC Name: [4-[(2,4-dioxo-1,3-diazinan-5-yl)iminomethyl]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [4-[(2,4-diketohexahydropyrimidin-5-yl)iminomethyl]phenyl] ester Formula: C18H14BrN3O4 MolecularWeight: 416.22546

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC(=O)N1)N=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1C(C(=O)NC(=O)N1)N=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C18H14BrN3O4/c19-14-4-2-1-3-13(14)17(24)26-12-7-5-11(6-8-12)9-20-15-10-21-18(25)22-16(15)23/h1-9,15H,10H2,(H2,21,22,23,25)