2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[methyl-[(1-phenyl-4-pyrazolyl)methyl]amino]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O4/c1-22(11-14-10-21-24(12-14)15-5-3-2-4-6-15)13-23-19(26)17-8-7-16(25(28)29)9-18(17)20(23)27/h2-10,12H,11,13H2,1H3