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

Systemtic Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]azanium Openeye Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]ammonium CAS Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]ammonium IUPAC Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]azanium Traditional Name: cyclopropyl-[(1,3-diketo-5-nitro-isoindolin-2-yl)methyl]-p-anisyl-ammonium Formula: C20H20N3O5+ MolecularWeight: 382.3899

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4CC4

InChI

InChI=1S/C20H19N3O5/c1-28-16-7-2-13(3-8-16)11-21(14-4-5-14)12-22-19(24)17-9-6-15(23(26)27)10-18(17)20(22)25/h2-3,6-10,14H,4-5,11-12H2,1H3/p+1