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

Systemtic Name: [2-methoxy-4-[2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenyl] benzoate Openeye Name: [2-methoxy-4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]phenyl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [4-[2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]-2-methoxy-phenyl] ester Formula: C20H15N3O7 MolecularWeight: 409.349

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O7/c1-29-16-11-12(7-9-14-17(23(27)28)18(24)22-20(26)21-14)8-10-15(16)30-19(25)13-5-3-2-4-6-13/h2-11H,1H3,(H2,21,22,24,26)