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

Systemtic Name: [3-[2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenyl] benzoate Openeye Name: [3-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]phenyl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [3-[2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]phenyl] ester Formula: C19H13N3O6 MolecularWeight: 379.32302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=CC3=C(C(=O)NC(=O)N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=CC3=C(C(=O)NC(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O6/c23-17-16(22(26)27)15(20-19(25)21-17)10-9-12-5-4-8-14(11-12)28-18(24)13-6-2-1-3-7-13/h1-11H,(H2,20,21,23,25)