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

Systemtic Name: 3-azanyl-2-(3-carboxyphenyl)-4-cyano-N-oxidanyl-1-oxidanylidene-isoquinolin-7-amine oxide Openeye Name: 3-amino-2-(3-carboxyphenyl)-4-cyano-N-hydroxy-1-oxo-isoquinolin-7-amine oxide CAS Name: 3-amino-2-(3-carboxyphenyl)-4-cyano-N-hydroxy-1-oxo-7-isoquinolinamine oxide IUPAC Name: 3-amino-2-(3-carboxyphenyl)-4-cyano-N-hydroxy-1-oxoisoquinolin-7-amine oxide Traditional Name: 3-amino-2-(3-carboxyphenyl)-4-cyano-N-hydroxy-1-keto-isoquinolin-7-amine oxide Formula: C17H12N4O5 MolecularWeight: 352.30098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[NH+](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/h1-7,21,25H,19H2,(H,23,24)