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

Systemtic Name: [4-[2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenyl] 3-methylbenzoate Openeye Name: [4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] ester IUPAC Name: [4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]phenyl] ester Formula: C20H15N3O6 MolecularWeight: 393.3496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C=CC3=C(C(=O)NC(=O)N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C=CC3=C(C(=O)NC(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O6/c1-12-3-2-4-14(11-12)19(25)29-15-8-5-13(6-9-15)7-10-16-17(23(27)28)18(24)22-20(26)21-16/h2-11H,1H3,(H2,21,22,24,26)