2-(3,5-dinitrophenyl)carbonyl-1H-isoquinoline-1-carbonitrile

Systemtic Name: 2-(3,5-dinitrophenyl)carbonyl-1H-isoquinoline-1-carbonitrile Openeye Name: 2-(3,5-dinitrobenzoyl)-1H-isoquinoline-1-carbonitrile CAS Name: 2-[(3,5-dinitrophenyl)-oxomethyl]-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-(3,5-dinitrobenzoyl)-1H-isoquinoline-1-carbonitrile Traditional Name: 2-(3,5-dinitrobenzoyl)-1H-isoquinoline-1-carbonitrile Formula: C17H10N4O5 MolecularWeight: 350.2851

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(N(C=CC2=C1)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(N(C=CC2=C1)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C#N

InChI

InChI=1S/C17H10N4O5/c18-10-16-15-4-2-1-3-11(15)5-6-19(16)17(22)12-7-13(20(23)24)9-14(8-12)21(25)26/h1-9,16H