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

Systemtic Name: 3-azanyl-7-[oxidanidyl(oxidanyl)amino]-1-oxidanylidene-2-(1-phenylethyl)isoquinoline-4-carbonitrile Openeye Name: 3-amino-7-[hydroxy(oxido)amino]-1-oxo-2-(1-phenylethyl)isoquinoline-4-carbonitrile CAS Name: 3-amino-7-[hydroxy(oxido)amino]-1-oxo-2-(1-phenylethyl)-4-isoquinolinecarbonitrile IUPAC Name: 3-amino-7-[hydroxy(oxido)amino]-1-oxo-2-(1-phenylethyl)isoquinoline-4-carbonitrile Traditional Name: 3-amino-7-[hydroxy(oxido)amino]-1-keto-2-(1-phenylethyl)isoquinoline-4-carbonitrile Formula: C18H15N4O3- MolecularWeight: 335.3367

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N4O3/c1-11(12-5-3-2-4-6-12)21-17(20)16(10-19)14-8-7-13(22(24)25)9-15(14)18(21)23/h2-9,11,24H,20H2,1H3/q-1