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

Systemtic Name: 3-azanyl-7-nitro-1-oxidanylidene-2-phenyl-isoquinoline-4-carbonitrile Openeye Name: 3-amino-7-nitro-1-oxo-2-phenyl-isoquinoline-4-carbonitrile CAS Name: 3-amino-7-nitro-1-oxo-2-phenyl-4-isoquinolinecarbonitrile IUPAC Name: 3-amino-7-nitro-1-oxo-2-phenylisoquinoline-4-carbonitrile Traditional Name: 3-amino-1-keto-7-nitro-2-phenyl-isoquinoline-4-carbonitrile Formula: C16H10N4O3 MolecularWeight: 306.2756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10N4O3/c17-9-14-12-7-6-11(20(22)23)8-13(12)16(21)19(15(14)18)10-4-2-1-3-5-10/h1-8H,18H2