2-butyl-5-nitro-3-(6-oxidanylidenecyclohexen-1-yl)-1H-indole-7-carbonitrile

Systemtic Name: 2-butyl-5-nitro-3-(6-oxidanylidenecyclohexen-1-yl)-1H-indole-7-carbonitrile Openeye Name: 2-butyl-5-nitro-3-(6-oxocyclohexen-1-yl)-1H-indole-7-carbonitrile CAS Name: 2-butyl-5-nitro-3-(6-oxo-1-cyclohexenyl)-1H-indole-7-carbonitrile IUPAC Name: 2-butyl-5-nitro-3-(6-oxocyclohexen-1-yl)-1H-indole-7-carbonitrile Traditional Name: 2-butyl-3-(6-ketocyclohexen-1-yl)-5-nitro-1H-indole-7-carbonitrile Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(N1)C(=CC(=C2)[N+](=O)[O-])C#N)C3=CCCCC3=O

Isomeric SMILES

CCCCC1=C(C2=C(N1)C(=CC(=C2)[N+](=O)[O-])C#N)C3=CCCCC3=O

InChI

InChI=1S/C19H19N3O3/c1-2-3-7-16-18(14-6-4-5-8-17(14)23)15-10-13(22(24)25)9-12(11-20)19(15)21-16/h6,9-10,21H,2-5,7-8H2,1H3