5-azanyl-1-(3-nitrophenyl)carbonyl-pyrazole-3,4-dicarbonitrile

Systemtic Name: 5-azanyl-1-(3-nitrophenyl)carbonyl-pyrazole-3,4-dicarbonitrile Openeye Name: 5-amino-1-(3-nitrobenzoyl)pyrazole-3,4-dicarbonitrile CAS Name: 5-amino-1-[(3-nitrophenyl)-oxomethyl]pyrazole-3,4-dicarbonitrile IUPAC Name: 5-amino-1-(3-nitrobenzoyl)pyrazole-3,4-dicarbonitrile Traditional Name: 5-amino-1-(3-nitrobenzoyl)pyrazole-3,4-dicarbonitrile Formula: C12H6N6O3 MolecularWeight: 282.21444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N2C(=C(C(=N2)C#N)C#N)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N2C(=C(C(=N2)C#N)C#N)N

InChI

InChI=1S/C12H6N6O3/c13-5-9-10(6-14)16-17(11(9)15)12(19)7-2-1-3-8(4-7)18(20)21/h1-4H,15H2