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

Systemtic Name: [4-[[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]iminomethyl]phenyl] 2-bromanylbenzoate Openeye Name: [4-[(2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-[(2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]phenyl] ester IUPAC Name: [4-[(2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [4-[(2,4-diketo-1H-pyrimidin-5-yl)iminomethyl]phenyl] ester Formula: C18H12BrN3O4 MolecularWeight: 414.20958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)C=NC3=CNC(=O)NC3=O)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)C=NC3=CNC(=O)NC3=O)Br

InChI

InChI=1S/C18H12BrN3O4/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/h1-10H,(H2,21,22,23,25)