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

Systemtic Name: [3-[2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenyl] 4-nitrobenzoate Openeye Name: [3-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] ester IUPAC Name: [3-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-[2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]phenyl] ester Formula: C19H12N4O8 MolecularWeight: 424.32058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12N4O8/c24-17-16(23(29)30)15(20-19(26)21-17)9-4-11-2-1-3-14(10-11)31-18(25)12-5-7-13(8-6-12)22(27)28/h1-10H,(H2,20,21,24,26)