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

Systemtic Name: [2-ethoxy-4-[2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenyl] 4-nitrobenzoate Openeye Name: [2-ethoxy-4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-ethoxy-4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]-2-ethoxy-phenyl] ester Formula: C21H16N4O9 MolecularWeight: 468.37314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC2=C(C(=O)NC(=O)N2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=CC2=C(C(=O)NC(=O)N2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O9/c1-2-33-17-11-12(3-9-15-18(25(31)32)19(26)23-21(28)22-15)4-10-16(17)34-20(27)13-5-7-14(8-6-13)24(29)30/h3-11H,2H2,1H3,(H2,22,23,26,28)