4-[1-(4-cyanophenyl)-1-oxidanylidene-pent-4-en-2-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[1-(4-cyanophenyl)-1-oxidanylidene-pent-4-en-2-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[1-(4-cyanobenzoyl)but-3-enyl]-3-nitro-benzonitrile CAS Name: 4-[1-(4-cyanophenyl)-1-oxopent-4-en-2-yl]-3-nitrobenzonitrile IUPAC Name: 4-[1-(4-cyanophenyl)-1-oxopent-4-en-2-yl]-3-nitrobenzonitrile Traditional Name: 4-[1-(4-cyanobenzoyl)but-3-enyl]-3-nitro-benzonitrile Formula: C19H13N3O3 MolecularWeight: 331.32482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13N3O3/c1-2-3-17(19(23)15-7-4-13(11-20)5-8-15)16-9-6-14(12-21)10-18(16)22(24)25/h2,4-10,17H,1,3H2