2-[(E)-2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 2-[(E)-2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[(E)-2-[3-methoxy-4-(m-tolylmethoxy)phenyl]vinyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[(E)-2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[(E)-2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate Traditional Name: 6-keto-2-[(E)-2-[3-methoxy-4-(3-methylbenzyl)oxy-phenyl]vinyl]-5-nitro-1H-pyrimidin-4-olate Formula: C21H18N3O6- MolecularWeight: 408.38412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=C(C=C(C=C2)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])[O-])OC

Isomeric SMILES

CC1=CC(=CC=C1)COC2=C(C=C(C=C2)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])[O-])OC

InChI

InChI=1S/C21H19N3O6/c1-13-4-3-5-15(10-13)12-30-16-8-6-14(11-17(16)29-2)7-9-18-22-20(25)19(24(27)28)21(26)23-18/h3-11H,12H2,1-2H3,(H2,22,23,25,26)/p-1/b9-7+