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

Systemtic Name: N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-3-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-3-(4-nitropyrazol-1-yl)propanamide CAS Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-3-(4-nitropyrazol-1-yl)propionamide Formula: C19H16ClN5O6 MolecularWeight: 445.81324

Click to see the large picture

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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN5O6/c1-12-6-16(2-3-18(12)20)31-17-8-13(7-14(9-17)24(27)28)22-19(26)4-5-23-11-15(10-21-23)25(29)30/h2-3,6-11H,4-5H2,1H3,(H,22,26)