3-azanyl-4-cyano-2-(3,5-dimethoxyphenyl)-N-oxidanyl-1-oxidanylidene-isoquinolin-7-amine oxide

Systemtic Name: 3-azanyl-4-cyano-2-(3,5-dimethoxyphenyl)-N-oxidanyl-1-oxidanylidene-isoquinolin-7-amine oxide Openeye Name: 3-amino-4-cyano-2-(3,5-dimethoxyphenyl)-N-hydroxy-1-oxo-isoquinolin-7-amine oxide CAS Name: 3-amino-4-cyano-2-(3,5-dimethoxyphenyl)-N-hydroxy-1-oxo-7-isoquinolinamine oxide IUPAC Name: 3-amino-4-cyano-2-(3,5-dimethoxyphenyl)-N-hydroxy-1-oxoisoquinolin-7-amine oxide Traditional Name: 3-amino-4-cyano-2-(3,5-dimethoxyphenyl)-N-hydroxy-1-keto-isoquinolin-7-amine oxide Formula: C18H16N4O5 MolecularWeight: 368.34344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[NH+](O)[O-])C#N)N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[NH+](O)[O-])C#N)N)OC

InChI

InChI=1S/C18H16N4O5/c1-26-12-5-11(6-13(8-12)27-2)21-17(20)16(9-19)14-4-3-10(22(24)25)7-15(14)18(21)23/h3-8,22,24H,20H2,1-2H3