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

Systemtic Name: [2-ethoxy-4-[2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenyl] 4-methylbenzoate Openeye Name: [2-ethoxy-4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic 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-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]-2-ethoxy-phenyl] ester Formula: C22H19N3O7 MolecularWeight: 437.40216

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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)C

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)C

InChI

InChI=1S/C22H19N3O7/c1-3-31-18-12-14(6-10-16-19(25(29)30)20(26)24-22(28)23-16)7-11-17(18)32-21(27)15-8-4-13(2)5-9-15/h4-12H,3H2,1-2H3,(H2,23,24,26,28)