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

Systemtic Name: 2-[(E)-2-(3-methoxy-4-phenylmethoxy-5-prop-2-enyl-phenyl)ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[(E)-2-(3-allyl-4-benzyloxy-5-methoxy-phenyl)vinyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[(E)-2-(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[(E)-2-(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[(E)-2-(3-allyl-4-benzoxy-5-methoxy-phenyl)vinyl]-6-keto-5-nitro-1H-pyrimidin-4-olate Formula: C23H20N3O6- MolecularWeight: 434.4214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)CC=C)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)CC=C)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C23H21N3O6/c1-3-7-17-12-16(10-11-19-24-22(27)20(26(29)30)23(28)25-19)13-18(31-2)21(17)32-14-15-8-5-4-6-9-15/h3-6,8-13H,1,7,14H2,2H3,(H2,24,25,27,28)/p-1/b11-10+