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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C(=C(C=N3)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C(=C(C=N3)[N+](=O)[O-])C)Cl

InChI

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