5-azanyl-1-[1,3-bis(oxidanylidene)isoindol-2-yl]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[1,3-bis(oxidanylidene)isoindol-2-yl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(1,3-dioxoisoindolin-2-yl)pyrazole-4-carbonitrile CAS Name: 5-amino-1-(1,3-dioxo-2-isoindolyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(1,3-dioxoisoindol-2-yl)pyrazole-4-carbonitrile Traditional Name: 5-amino-1-phthalimido-pyrazole-4-carbonitrile Formula: C12H7N5O2 MolecularWeight: 253.21628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)N3C(=C(C=N3)C#N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)N3C(=C(C=N3)C#N)N

InChI

InChI=1S/C12H7N5O2/c13-5-7-6-15-17(10(7)14)16-11(18)8-3-1-2-4-9(8)12(16)19/h1-4,6H,14H2