[4,4-bis(cyanoamino)cyclohexa-2,5-dien-1-yl] benzoate

Systemtic Name: [4,4-bis(cyanoamino)cyclohexa-2,5-dien-1-yl] benzoate Openeye Name: [4,4-bis(cyanoamino)cyclohexa-2,5-dien-1-yl] benzoate CAS Name: benzoic acid [4,4-bis(cyanoamino)-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [4,4-bis(cyanoamino)cyclohexa-2,5-dien-1-yl] benzoate Traditional Name: benzoic acid [4,4-bis(cyanoamino)cyclohexa-2,5-dien-1-yl] ester Formula: C15H12N4O2 MolecularWeight: 280.28138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2C=CC(C=C2)(NC#N)NC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2C=CC(C=C2)(NC#N)NC#N

InChI

InChI=1S/C15H12N4O2/c16-10-18-15(19-11-17)8-6-13(7-9-15)21-14(20)12-4-2-1-3-5-12/h1-9,13,18-19H