methyl-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: methyl-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: methyl-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: methyl-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: methyl-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: (1,3-diketo-5-nitro-isoindolin-2-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C20H18N5O4+ MolecularWeight: 392.38802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+](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/p+1