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

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-methyl-[[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-methyl-[(4-nitro-1,3-dioxo-isoindolin-2-yl)methyl]ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-methyl-[(4-nitro-1,3-dioxo-2-isoindolyl)methyl]ammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-methyl-[(4-nitro-1,3-dioxoisoindol-2-yl)methyl]azanium Traditional Name: (5-chloro-2-methoxy-benzyl)-[(1,3-diketo-4-nitro-isoindolin-2-yl)methyl]-methyl-ammonium Formula: C18H17ClN3O5+ MolecularWeight: 390.79768

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Cl)OC)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Cl)OC)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN3O5/c1-20(9-11-8-12(19)6-7-15(11)27-2)10-21-17(23)13-4-3-5-14(22(25)26)16(13)18(21)24/h3-8H,9-10H2,1-2H3/p+1