2-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[1-(2-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]-4-nitro-isoindoline-1,3-quinone Formula: C20H15ClN4O4 MolecularWeight: 410.8105

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClN4O4/c1-11-18(12(2)23(22-11)10-13-6-3-4-8-15(13)21)24-19(26)14-7-5-9-16(25(28)29)17(14)20(24)27/h3-9H,10H2,1-2H3