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

Systemtic Name: [2-methoxy-4-[2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenyl] 3-nitrobenzoate Openeye Name: [2-methoxy-4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic 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-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]-2-methoxy-phenyl] ester Formula: C20H14N4O9 MolecularWeight: 454.34656

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H14N4O9/c1-32-16-9-11(5-7-14-17(24(30)31)18(25)22-20(27)21-14)6-8-15(16)33-19(26)12-3-2-4-13(10-12)23(28)29/h2-10H,1H3,(H2,21,22,25,27)