[4-[2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenyl] 3-bromanylbenzoate

Systemtic Name: [4-[2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenyl] 3-bromanylbenzoate Openeye Name: [4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] ester IUPAC Name: [4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]phenyl] ester Formula: C19H12BrN3O6 MolecularWeight: 458.21908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)OC2=CC=C(C=C2)C=CC3=C(C(=O)NC(=O)N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)OC2=CC=C(C=C2)C=CC3=C(C(=O)NC(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C19H12BrN3O6/c20-13-3-1-2-12(10-13)18(25)29-14-7-4-11(5-8-14)6-9-15-16(23(27)28)17(24)22-19(26)21-15/h1-10H,(H2,21,22,24,26)