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

Systemtic Name: 2-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]-4-nitro-isoindoline-1,3-quinone Formula: C20H15BrN4O4 MolecularWeight: 455.2615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15BrN4O4/c1-11-18(12(2)23(22-11)10-13-6-8-14(21)9-7-13)24-19(26)15-4-3-5-16(25(28)29)17(15)20(24)27/h3-9H,10H2,1-2H3