8-bromanyl-4-oxidanylidene-3-[(Z)-pyridin-3-ylmethylideneamino]-5H-pyrimido[5,4-b]indol-2-olate

Systemtic Name: 8-bromanyl-4-oxidanylidene-3-[(Z)-pyridin-3-ylmethylideneamino]-5H-pyrimido[5,4-b]indol-2-olate Openeye Name: 8-bromo-4-oxo-3-[(Z)-3-pyridylmethyleneamino]-5H-pyrimido[5,4-b]indol-2-olate CAS Name: 8-bromo-4-oxo-3-[(Z)-3-pyridinylmethylideneamino]-5H-pyrimido[5,4-b]indol-2-olate IUPAC Name: 8-bromo-4-oxo-3-[(Z)-pyridin-3-ylmethylideneamino]-5H-pyrimido[5,4-b]indol-2-olate Traditional Name: 8-bromo-4-keto-3-[(Z)-3-pyridylmethyleneamino]-5H-pyrimid[5,4-b]indol-2-olate Formula: C16H9BrN5O2- MolecularWeight: 383.17896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C=NN2C(=O)C3=C(C4=C(N3)C=CC(=C4)Br)N=C2[O-]

Isomeric SMILES

C1=CC(=CN=C1)/C=N\N2C(=O)C3=C(C4=C(N3)C=CC(=C4)Br)N=C2[O-]

InChI

InChI=1S/C16H10BrN5O2/c17-10-3-4-12-11(6-10)13-14(20-12)15(23)22(16(24)21-13)19-8-9-2-1-5-18-7-9/h1-8,20H,(H,21,24)/p-1/b19-8-