[4-methyl-1-(4-methylphenyl)-5-(2-nitrophenoxy)pyrazol-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-methyl-1-(4-methylphenyl)-5-(2-nitrophenoxy)pyrazol-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [4-methyl-5-(2-nitrophenoxy)-1-(p-tolyl)pyrazol-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [4-methyl-1-(4-methylphenyl)-5-(2-nitrophenoxy)-3-pyrazolyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-methyl-1-(4-methylphenyl)-5-(2-nitrophenoxy)pyrazol-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [4-methyl-5-(2-nitrophenoxy)-1-(p-tolyl)pyrazol-3-yl]-pyrrolidino-methanone Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)N3CCCC3)C)OC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)N3CCCC3)C)OC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4/c1-15-9-11-17(12-10-15)25-22(30-19-8-4-3-7-18(19)26(28)29)16(2)20(23-25)21(27)24-13-5-6-14-24/h3-4,7-12H,5-6,13-14H2,1-2H3