(E)-2-diazonio-1-[3-[(3,4-dichlorophenyl)methyl]-6-methoxy-4-oxidanylidene-phthalazin-1-yl]ethenolate

Systemtic Name: (E)-2-diazonio-1-[3-[(3,4-dichlorophenyl)methyl]-6-methoxy-4-oxidanylidene-phthalazin-1-yl]ethenolate Openeye Name: (E)-2-diazonio-1-[3-[(3,4-dichlorophenyl)methyl]-6-methoxy-4-oxo-phthalazin-1-yl]ethenolate CAS Name: (E)-2-diazonio-1-[3-[(3,4-dichlorophenyl)methyl]-6-methoxy-4-oxo-1-phthalazinyl]ethenolate IUPAC Name: (E)-2-diazonio-1-[3-[(3,4-dichlorophenyl)methyl]-6-methoxy-4-oxophthalazin-1-yl]ethenolate Traditional Name: (E)-2-diazonio-1-[3-(3,4-dichlorobenzyl)-4-keto-6-methoxy-phthalazin-1-yl]ethenolate Formula: C18H12Cl2N4O3 MolecularWeight: 403.21888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NN(C2=O)CC3=CC(=C(C=C3)Cl)Cl)C(=C[N+]#N)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NN(C2=O)CC3=CC(=C(C=C3)Cl)Cl)/C(=C\[N+]#N)/[O-]

InChI

InChI=1S/C18H12Cl2N4O3/c1-27-11-3-4-12-13(7-11)18(26)24(23-17(12)16(25)8-22-21)9-10-2-5-14(19)15(20)6-10/h2-8H,9H2,1H3/b16-8+