4-[5-nitro-2-oxidanylidene-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]butanenitrile

Systemtic Name: 4-[5-nitro-2-oxidanylidene-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]butanenitrile Openeye Name: 4-[5-nitro-2-oxo-1-(4-pyridylmethyl)acenaphthylen-1-yl]butanenitrile CAS Name: 4-[5-nitro-2-oxo-1-(pyridin-4-ylmethyl)-1-acenaphthylenyl]butanenitrile IUPAC Name: 4-[5-nitro-2-oxo-1-(pyridin-4-ylmethyl)acenaphthylen-1-yl]butanenitrile Traditional Name: 4-[2-keto-5-nitro-1-(4-pyridylmethyl)acenaphthen-1-yl]butyronitrile Formula: C22H17N3O3 MolecularWeight: 371.38868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C(=C1)C(C3=O)(CCCC#N)CC4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CC3=C2C(=C1)C(C3=O)(CCCC#N)CC4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O3/c23-11-2-1-10-22(14-15-8-12-24-13-9-15)18-5-3-4-16-19(25(27)28)7-6-17(20(16)18)21(22)26/h3-9,12-13H,1-2,10,14H2