3-[(4-chloranyl-2-nitro-phenyl)amino]-1-(2-methylpropyl)pyrazole-4-carbonitrile

Systemtic Name: 3-[(4-chloranyl-2-nitro-phenyl)amino]-1-(2-methylpropyl)pyrazole-4-carbonitrile Openeye Name: 3-(4-chloro-2-nitro-anilino)-1-isobutyl-pyrazole-4-carbonitrile CAS Name: 3-(4-chloro-2-nitroanilino)-1-(2-methylpropyl)-4-pyrazolecarbonitrile IUPAC Name: 3-(4-chloro-2-nitroanilino)-1-(2-methylpropyl)pyrazole-4-carbonitrile Traditional Name: 3-(4-chloro-2-nitro-anilino)-1-isobutyl-pyrazole-4-carbonitrile Formula: C14H14ClN5O2 MolecularWeight: 319.74626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=N1)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)CN1C=C(C(=N1)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H14ClN5O2/c1-9(2)7-19-8-10(6-16)14(18-19)17-12-4-3-11(15)5-13(12)20(21)22/h3-5,8-9H,7H2,1-2H3,(H,17,18)