N-[3-(2-methylphenoxy)-5-nitro-phenyl]-3-(3-methylpyrazol-1-yl)propanamide

Systemtic Name: N-[3-(2-methylphenoxy)-5-nitro-phenyl]-3-(3-methylpyrazol-1-yl)propanamide Openeye Name: N-[3-(2-methylphenoxy)-5-nitro-phenyl]-3-(3-methylpyrazol-1-yl)propanamide CAS Name: N-[3-(2-methylphenoxy)-5-nitrophenyl]-3-(3-methyl-1-pyrazolyl)propanamide IUPAC Name: N-[3-(2-methylphenoxy)-5-nitrophenyl]-3-(3-methylpyrazol-1-yl)propanamide Traditional Name: N-[3-(2-methylphenoxy)-5-nitro-phenyl]-3-(3-methylpyrazol-1-yl)propionamide Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCC(=O)NC2=CC(=CC(=C2)OC3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C=C1)CCC(=O)NC2=CC(=CC(=C2)OC3=CC=CC=C3C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4/c1-14-5-3-4-6-19(14)28-18-12-16(11-17(13-18)24(26)27)21-20(25)8-10-23-9-7-15(2)22-23/h3-7,9,11-13H,8,10H2,1-2H3,(H,21,25)