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

Systemtic Name: 3-[(Z)-(4-butoxyphenyl)methylideneamino]-8-chloranyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-olate Openeye Name: 3-[(Z)-(4-butoxyphenyl)methyleneamino]-8-chloro-4-oxo-5H-pyrimido[5,4-b]indol-2-olate CAS Name: 3-[(Z)-(4-butoxyphenyl)methylideneamino]-8-chloro-4-oxo-5H-pyrimido[5,4-b]indol-2-olate IUPAC Name: 3-[(Z)-(4-butoxyphenyl)methylideneamino]-8-chloro-4-oxo-5H-pyrimido[5,4-b]indol-2-olate Traditional Name: 3-[(Z)-(4-butoxybenzylidene)amino]-8-chloro-4-keto-5H-pyrimid[5,4-b]indol-2-olate Formula: C21H18ClN4O3- MolecularWeight: 409.84562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=NN2C(=O)C3=C(C4=C(N3)C=CC(=C4)Cl)N=C2[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=N\N2C(=O)C3=C(C4=C(N3)C=CC(=C4)Cl)N=C2[O-]

InChI

InChI=1S/C21H19ClN4O3/c1-2-3-10-29-15-7-4-13(5-8-15)12-23-26-20(27)19-18(25-21(26)28)16-11-14(22)6-9-17(16)24-19/h4-9,11-12,24H,2-3,10H2,1H3,(H,25,28)/p-1/b23-12-