N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C18H14ClN5O6 MolecularWeight: 431.78666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3[N+](=O)[O-])C)Cl

InChI

InChI=1S/C18H14ClN5O6/c1-10-5-13(3-4-15(10)19)30-14-7-11(6-12(8-14)23(26)27)20-18(25)17-16(24(28)29)9-22(2)21-17/h3-9H,1-2H3,(H,20,25)