4-[2-(8-methoxy-4-oxidanylidene-1,5-dihydropyrimido[5,4-b]indol-3-ium-3-yl)ethyl]-2-oxidanyl-phenolate

Systemtic Name: 4-[2-(8-methoxy-4-oxidanylidene-1,5-dihydropyrimido[5,4-b]indol-3-ium-3-yl)ethyl]-2-oxidanyl-phenolate Openeye Name: 2-hydroxy-4-[2-(8-methoxy-4-oxo-1,5-dihydropyrimido[5,4-b]indol-3-ium-3-yl)ethyl]phenolate CAS Name: 2-hydroxy-4-[2-(8-methoxy-4-oxo-1,5-dihydropyrimido[5,4-b]indol-3-ium-3-yl)ethyl]phenolate IUPAC Name: 2-hydroxy-4-[2-(8-methoxy-4-oxo-1,5-dihydropyrimido[5,4-b]indol-3-ium-3-yl)ethyl]phenolate Traditional Name: 2-hydroxy-4-[2-(4-keto-8-methoxy-1,5-dihydropyrimid[5,4-b]indol-3-ium-3-yl)ethyl]phenolate Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC=[N+](C3=O)CCC4=CC(=C(C=C4)[O-])O

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC=[N+](C3=O)CCC4=CC(=C(C=C4)[O-])O

InChI

InChI=1S/C19H17N3O4/c1-26-12-3-4-14-13(9-12)17-18(21-14)19(25)22(10-20-17)7-6-11-2-5-15(23)16(24)8-11/h2-5,8-10H,6-7H2,1H3,(H3,21,23,24,25)