4-[(3Z)-5-oxidanylidene-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)pyrazolidin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[(3Z)-5-oxidanylidene-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)pyrazolidin-1-yl]benzenecarbonitrile Openeye Name: 4-[(3Z)-5-oxo-3-(6-oxocyclohexa-2,4-dien-1-ylidene)pyrazolidin-1-yl]benzonitrile CAS Name: 4-[(3Z)-5-oxo-3-(6-oxo-1-cyclohexa-2,4-dienylidene)-1-pyrazolidinyl]benzonitrile IUPAC Name: 4-[(3Z)-5-oxo-3-(6-oxocyclohexa-2,4-dien-1-ylidene)pyrazolidin-1-yl]benzonitrile Traditional Name: 4-[(3Z)-5-keto-3-(6-ketocyclohexa-2,4-dien-1-ylidene)pyrazolidin-1-yl]benzonitrile Formula: C16H11N3O2 MolecularWeight: 277.27744

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C2C=CC=CC2=O)NN(C1=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1/C(=C/2\C=CC=CC2=O)/NN(C1=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H11N3O2/c17-10-11-5-7-12(8-6-11)19-16(21)9-14(18-19)13-3-1-2-4-15(13)20/h1-8,18H,9H2/b14-13-