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

Systemtic Name: 2-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C20H17N5O5 MolecularWeight: 407.37948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O5/c1-12-17(20(28)24(22(12)2)13-7-4-3-5-8-13)21-11-23-18(26)14-9-6-10-15(25(29)30)16(14)19(23)27/h3-10,21H,11H2,1-2H3