1-[(3-chlorophenyl)methyl]-3-nitro-pyrazole-4-carbonitrile

Systemtic Name: 1-[(3-chlorophenyl)methyl]-3-nitro-pyrazole-4-carbonitrile Openeye Name: 1-[(3-chlorophenyl)methyl]-3-nitro-pyrazole-4-carbonitrile CAS Name: 1-[(3-chlorophenyl)methyl]-3-nitro-4-pyrazolecarbonitrile IUPAC Name: 1-[(3-chlorophenyl)methyl]-3-nitropyrazole-4-carbonitrile Traditional Name: 1-(3-chlorobenzyl)-3-nitro-pyrazole-4-carbonitrile Formula: C11H7ClN4O2 MolecularWeight: 262.65188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CN2C=C(C(=N2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CN2C=C(C(=N2)[N+](=O)[O-])C#N

InChI

InChI=1S/C11H7ClN4O2/c12-10-3-1-2-8(4-10)6-15-7-9(5-13)11(14-15)16(17)18/h1-4,7H,6H2