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

Systemtic Name: 3-azanyl-2-hexyl-7-nitro-1-oxidanylidene-isoquinoline-4-carbonitrile Openeye Name: 3-amino-2-hexyl-7-nitro-1-oxo-isoquinoline-4-carbonitrile CAS Name: 3-amino-2-hexyl-7-nitro-1-oxo-4-isoquinolinecarbonitrile IUPAC Name: 3-amino-2-hexyl-7-nitro-1-oxoisoquinoline-4-carbonitrile Traditional Name: 3-amino-2-hexyl-1-keto-7-nitro-isoquinoline-4-carbonitrile Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C#N)N

Isomeric SMILES

CCCCCCN1C(=C(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C#N)N

InChI

InChI=1S/C16H18N4O3/c1-2-3-4-5-8-19-15(18)14(10-17)12-7-6-11(20(22)23)9-13(12)16(19)21/h6-7,9H,2-5,8,18H2,1H3