(4E)-2-azanyl-4-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-methyl-1H-imidazol-3-ium-5-one

Systemtic Name: (4E)-2-azanyl-4-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-methyl-1H-imidazol-3-ium-5-one Openeye Name: (4E)-2-amino-4-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylene]-3-methyl-1H-imidazol-3-ium-5-one CAS Name: (4E)-2-amino-4-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-methyl-1H-imidazol-3-ium-5-one IUPAC Name: (4E)-2-amino-4-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-methyl-1H-imidazol-3-ium-5-one Traditional Name: (5E)-2-amino-5-[3-methoxy-4-(4-nitrobenzyl)oxy-benzylidene]-1-methyl-2-imidazolin-1-ium-4-one Formula: C19H19N4O5+ MolecularWeight: 383.37796

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC(=O)C1=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])OC)N

Isomeric SMILES

C[N+]\1=C(NC(=O)/C1=C\C2=CC(=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])OC)N

InChI

InChI=1S/C19H18N4O5/c1-22-15(18(24)21-19(22)20)9-13-5-8-16(17(10-13)27-2)28-11-12-3-6-14(7-4-12)23(25)26/h3-10H,11H2,1-2H3,(H2,20,21,24)/p+1/b15-9+