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

Systemtic Name: [2-ethoxy-3-nitro-4-[2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenyl] ethanoate Openeye Name: [2-ethoxy-3-nitro-4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]phenyl] acetate CAS Name: acetic acid [2-ethoxy-3-nitro-4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] ester IUPAC Name: [2-ethoxy-3-nitro-4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] acetate Traditional Name: acetic acid [4-[2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]-2-ethoxy-3-nitro-phenyl] ester Formula: C16H14N4O9 MolecularWeight: 406.30376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O9/c1-3-28-14-11(29-8(2)21)7-5-9(12(14)19(24)25)4-6-10-13(20(26)27)15(22)18-16(23)17-10/h4-7H,3H2,1-2H3,(H2,17,18,22,23)