6-[(E)-2-[4-[(2-cyanophenyl)methoxy]phenyl]ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 6-[(E)-2-[4-[(2-cyanophenyl)methoxy]phenyl]ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-[4-[(2-cyanophenyl)methoxy]phenyl]vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-[4-[(2-cyanophenyl)methoxy]phenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-[4-[(2-cyanophenyl)methoxy]phenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-[4-(2-cyanobenzyl)oxyphenyl]vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C20H13N4O5- MolecularWeight: 389.34102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC2=CC=C(C=C2)C=CC3=C(C(=O)N=C(N3)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC2=CC=C(C=C2)/C=C/C3=C(C(=O)N=C(N3)[O-])[N+](=O)[O-])C#N

InChI

InChI=1S/C20H14N4O5/c21-11-14-3-1-2-4-15(14)12-29-16-8-5-13(6-9-16)7-10-17-18(24(27)28)19(25)23-20(26)22-17/h1-10H,12H2,(H2,22,23,25,26)/p-1/b10-7+