2-[2-methoxy-4-[(E)-2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-methoxy-4-[(E)-2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenoxy]ethanoic acid Openeye Name: 2-[2-methoxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]phenoxy]acetic acid CAS Name: 2-[2-methoxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]acetic acid IUPAC Name: 2-[2-methoxy-4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]acetic acid Traditional Name: 2-[4-[(E)-2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]-2-methoxy-phenoxy]acetic acid Formula: C15H13N3O8 MolecularWeight: 363.27902

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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-])OCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-])OCC(=O)O

InChI

InChI=1S/C15H13N3O8/c1-25-11-6-8(3-5-10(11)26-7-12(19)20)2-4-9-13(18(23)24)14(21)17-15(22)16-9/h2-6H,7H2,1H3,(H,19,20)(H2,16,17,21,22)/b4-2+