3-azanyl-7-nitro-1-oxidanylidene-2-phenethyl-isoquinoline-4-carbonitrile

Systemtic Name: 3-azanyl-7-nitro-1-oxidanylidene-2-phenethyl-isoquinoline-4-carbonitrile Openeye Name: 3-amino-7-nitro-1-oxo-2-phenethyl-isoquinoline-4-carbonitrile CAS Name: 3-amino-7-nitro-1-oxo-2-phenethyl-4-isoquinolinecarbonitrile IUPAC Name: 3-amino-7-nitro-1-oxo-2-phenethylisoquinoline-4-carbonitrile Traditional Name: 3-amino-1-keto-7-nitro-2-phenethyl-isoquinoline-4-carbonitrile Formula: C18H14N4O3 MolecularWeight: 334.32876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N

InChI

InChI=1S/C18H14N4O3/c19-11-16-14-7-6-13(22(24)25)10-15(14)18(23)21(17(16)20)9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,20H2