5-[(2-chloranyl-4-nitro-phenoxy)methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[(2-chloranyl-4-nitro-phenoxy)methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[(2-chloro-4-nitro-phenoxy)methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[(2-chloro-4-nitrophenoxy)methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[(2-chloro-4-nitrophenoxy)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[(2-chloro-4-nitro-phenoxy)methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C18H13ClN4O3 MolecularWeight: 368.77382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H13ClN4O3/c1-12-15(10-20)17(22(21-12)13-5-3-2-4-6-13)11-26-18-8-7-14(23(24)25)9-16(18)19/h2-9H,11H2,1H3