N-[3-(4-chloranyl-2-methyl-phenoxy)-5-nitro-phenyl]-3-(5-methyl-3-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-[3-(4-chloranyl-2-methyl-phenoxy)-5-nitro-phenyl]-3-(5-methyl-3-nitro-pyrazol-1-yl)propanamide Openeye Name: N-[3-(4-chloro-2-methyl-phenoxy)-5-nitro-phenyl]-3-(5-methyl-3-nitro-pyrazol-1-yl)propanamide CAS Name: N-[3-(4-chloro-2-methylphenoxy)-5-nitrophenyl]-3-(5-methyl-3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[3-(4-chloro-2-methylphenoxy)-5-nitrophenyl]-3-(5-methyl-3-nitropyrazol-1-yl)propanamide Traditional Name: N-[3-(4-chloro-2-methyl-phenoxy)-5-nitro-phenyl]-3-(5-methyl-3-nitro-pyrazol-1-yl)propionamide Formula: C20H18ClN5O6 MolecularWeight: 459.83982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)NC2=CC(=CC(=C2)OC3=C(C=C(C=C3)Cl)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CCC(=O)NC2=CC(=CC(=C2)OC3=C(C=C(C=C3)Cl)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN5O6/c1-12-7-14(21)3-4-18(12)32-17-10-15(9-16(11-17)25(28)29)22-20(27)5-6-24-13(2)8-19(23-24)26(30)31/h3-4,7-11H,5-6H2,1-2H3,(H,22,27)