(4-ethoxy-3-methoxy-phenyl)methyl-methyl-[[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]azanium

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[(4-nitro-1,3-dioxo-isoindolin-2-yl)methyl]ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[(4-nitro-1,3-dioxo-2-isoindolyl)methyl]ammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[(4-nitro-1,3-dioxoisoindol-2-yl)methyl]azanium Traditional Name: (1,3-diketo-4-nitro-isoindolin-2-yl)methyl-(4-ethoxy-3-methoxy-benzyl)-methyl-ammonium Formula: C20H22N3O6+ MolecularWeight: 400.40518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](C)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H21N3O6/c1-4-29-16-9-8-13(10-17(16)28-3)11-21(2)12-22-19(24)14-6-5-7-15(23(26)27)18(14)20(22)25/h5-10H,4,11-12H2,1-3H3/p+1