3-[3-azanyl-7-[bis(oxidanyl)amino]-4-cyano-1-oxidanylidene-isoquinolin-2-yl]benzoate

Systemtic Name: 3-[3-azanyl-7-[bis(oxidanyl)amino]-4-cyano-1-oxidanylidene-isoquinolin-2-yl]benzoate Openeye Name: 3-[3-amino-4-cyano-7-(dihydroxyamino)-1-oxo-2-isoquinolyl]benzoate CAS Name: 3-[3-amino-4-cyano-7-(dihydroxyamino)-1-oxo-2-isoquinolinyl]benzoate IUPAC Name: 3-[3-amino-4-cyano-7-(dihydroxyamino)-1-oxoisoquinolin-2-yl]benzoate Traditional Name: 3-[3-amino-4-cyano-7-(dihydroxyamino)-1-keto-2-isoquinolyl]benzoate Formula: C17H11N4O5- MolecularWeight: 351.29304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N4O5/c18-8-14-12-5-4-11(21(25)26)7-13(12)16(22)20(15(14)19)10-3-1-2-9(6-10)17(23)24/h1-7,25-26H,19H2,(H,23,24)/p-1