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

Systemtic Name: 8-bromanyl-3-[(Z)-(4-nitrophenyl)methylideneamino]-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-olate Openeye Name: 8-bromo-3-[(Z)-(4-nitrophenyl)methyleneamino]-4-oxo-5H-pyrimido[5,4-b]indol-2-olate CAS Name: 8-bromo-3-[(Z)-(4-nitrophenyl)methylideneamino]-4-oxo-5H-pyrimido[5,4-b]indol-2-olate IUPAC Name: 8-bromo-3-[(Z)-(4-nitrophenyl)methylideneamino]-4-oxo-5H-pyrimido[5,4-b]indol-2-olate Traditional Name: 8-bromo-4-keto-3-[(Z)-(4-nitrobenzylidene)amino]-5H-pyrimid[5,4-b]indol-2-olate Formula: C17H9BrN5O4- MolecularWeight: 427.18846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NN2C(=O)C3=C(C4=C(N3)C=CC(=C4)Br)N=C2[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H10BrN5O4/c18-10-3-6-13-12(7-10)14-15(20-13)16(24)22(17(25)21-14)19-8-9-1-4-11(5-2-9)23(26)27/h1-8,20H,(H,21,25)/p-1/b19-8-