3-azanyl-2-(3,5-dimethoxyphenyl)-7-[oxidanidyl(oxidanyl)amino]-1-oxidanylidene-isoquinoline-4-carbonitrile

Systemtic Name: 3-azanyl-2-(3,5-dimethoxyphenyl)-7-[oxidanidyl(oxidanyl)amino]-1-oxidanylidene-isoquinoline-4-carbonitrile Openeye Name: 3-amino-2-(3,5-dimethoxyphenyl)-7-[hydroxy(oxido)amino]-1-oxo-isoquinoline-4-carbonitrile CAS Name: 3-amino-2-(3,5-dimethoxyphenyl)-7-[hydroxy(oxido)amino]-1-oxo-4-isoquinolinecarbonitrile IUPAC Name: 3-amino-2-(3,5-dimethoxyphenyl)-7-[hydroxy(oxido)amino]-1-oxoisoquinoline-4-carbonitrile Traditional Name: 3-amino-2-(3,5-dimethoxyphenyl)-7-[hydroxy(oxido)amino]-1-keto-isoquinoline-4-carbonitrile Formula: C18H15N4O5- MolecularWeight: 367.3355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N4O5/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/h3-8,24H,20H2,1-2H3/q-1