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

Systemtic Name: [2-methoxy-4-[2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenyl] 3-bromanylbenzoate Openeye Name: [2-methoxy-4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-methoxy-4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] ester IUPAC Name: [2-methoxy-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]-2-methoxy-phenyl] ester Formula: C20H14BrN3O7 MolecularWeight: 488.24506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=C(C(=O)NC(=O)N2)[N+](=O)[O-])OC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C=CC2=C(C(=O)NC(=O)N2)[N+](=O)[O-])OC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H14BrN3O7/c1-30-16-9-11(5-7-14-17(24(28)29)18(25)23-20(27)22-14)6-8-15(16)31-19(26)12-3-2-4-13(21)10-12/h2-10H,1H3,(H2,22,23,25,27)