3-[(Z)-(4-acetyloxy-3,5-dimethoxy-phenyl)methylideneamino]-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-olate

Systemtic Name: 3-[(Z)-(4-acetyloxy-3,5-dimethoxy-phenyl)methylideneamino]-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-olate Openeye Name: 3-[(Z)-(4-acetoxy-3,5-dimethoxy-phenyl)methyleneamino]-4-oxo-5H-pyrimido[5,4-b]indol-2-olate CAS Name: 3-[(Z)-(4-acetyloxy-3,5-dimethoxyphenyl)methylideneamino]-4-oxo-5H-pyrimido[5,4-b]indol-2-olate IUPAC Name: 3-[(Z)-(4-acetyloxy-3,5-dimethoxyphenyl)methylideneamino]-4-oxo-5H-pyrimido[5,4-b]indol-2-olate Traditional Name: 3-[(Z)-(4-acetoxy-3,5-dimethoxy-benzylidene)amino]-4-keto-5H-pyrimid[5,4-b]indol-2-olate Formula: C21H17N4O6- MolecularWeight: 421.38288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1OC)C=NN2C(=O)C3=C(C4=CC=CC=C4N3)N=C2[O-])OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1OC)/C=N\N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2[O-])OC

InChI

InChI=1S/C21H18N4O6/c1-11(26)31-19-15(29-2)8-12(9-16(19)30-3)10-22-25-20(27)18-17(24-21(25)28)13-6-4-5-7-14(13)23-18/h4-10,23H,1-3H3,(H,24,28)/p-1/b22-10-