4-nitro-2-(phenylcarbonyl)-1H-isoquinoline-1-carbonitrile

Systemtic Name: 4-nitro-2-(phenylcarbonyl)-1H-isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-4-nitro-1H-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-4-nitro-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-benzoyl-4-nitro-1H-isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-4-nitro-1H-isoquinoline-1-carbonitrile Formula: C17H11N3O3 MolecularWeight: 305.28754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C3C2C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C3C2C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O3/c18-10-15-13-8-4-5-9-14(13)16(20(22)23)11-19(15)17(21)12-6-2-1-3-7-12/h1-9,11,15H